First principles study of structural, electronic, elastic and mechanical prop...Alexander Decker
This document reports on a first principles study of the structural, electronic, elastic, and mechanical properties of GdSn3 and YbSn3 intermetallic compounds using density functional theory. Key findings include:
1) The calculated ground state properties, such as lattice constants and bulk moduli, agree well with experimental results.
2) Electronic band structure calculations show both compounds are metallic in nature.
3) Elastic constants are reported for the first time, and satisfy the stability criteria for cubic crystals.
4) Both compounds are predicted to be ductile based on their bulk to shear modulus ratio. Young's modulus suggests GdSn3 is stiffer than YbSn3.
This document summarizes research on tuning the electronic structure of tin and lead halide perovskites through atomic layering, epitaxial strain, and structural distortions. Key findings include:
1) Atomic layering of perovskites, either through organic linkers or in Ruddlesden-Popper phases, increases band gap due to quantum confinement effects.
2) Epitaxial strain of up to 3% and induced structural distortions can modify electronic structure and shift band gaps by over 1eV.
3) Atomic layering, strain, and distortions effectively tune band gaps throughout the visible spectrum for applications in solar cells.
We present the results on electronic and semi-conducting properties of YN in
rocksalt and zinc-blende structure by using FP-LAPW method as implemented in
the Wien2k code. By performing the volume optimization method, a theoretical
lattice constant is obtained which is used for performing our calculations. Results
on density of states (DOS) and energy bands of YN are presented. It is found that
YN acts as a semi-conducting behaviour in both the NaCl and ZB structures.
Electronic bands structure and gap in mid-infrared detector InAs/GaSb type II...IJERA Editor
We present here theoretical study of the electronic bands structure E (d1) of InAs (d1=25 Å)/GaSb (d2=25 Å) type
II superlattice at 4.2 K performed in the envelope function formalism. We study the effect of d1 and the offset ,
between heavy holes bands edges of InAs and GaSb, on the band gap Eg (), at the center of the first Brillouin
zone, and the semiconductor-to-semimetal transition. Eg (, T) decreases from 288.7 meV at 4.2 K to 230 meV
at 300K. In the investigated temperature range, the cut-off wavelength 4.3 m ≤ c ≤ 5.4 m situates this sample
as mid-wavelength infrared detector (MWIR). Our results are in good agreement with the experimental data
realized by C. Cervera et al.
Structural, Electronic and Gamma Shielding Properties of BxAl1-xAsIJMERJOURNAL
ABSTRACT: The structural and electronic properties of BxAl1-xAs ternary alloys in the zincblende structure were systematically investigated by using the first principles calculations. The local density approximation was used for exchanged and correlation interaction. The calculated band gap bowing parameter was discovered to be mightily composition dependent of the Boron concentration. Additionally, we have calculated some gamma shielding parameters of BxAl1-xAs ternary alloys. Primarily, the values of mass attenuation coefficients (μρ) were calculated using WinXCom computer program and then these parameters were utilized to calculate the values of electron density (Nel) and effective atomic number (Zeff) in the wide energy range (1 keV - 100 GeV).
The document summarizes key information about the CdGa2S4 semiconductor. It belongs to the ordered vacancy compound family, which contains direct bandgap materials less than 4 eV that can be used in optoelectronic devices. CdGa2S4 has a defect chalcopyrite structure at ambient conditions and undergoes a phase transition to a disordered rocksalt structure above 18.8 GPa. First-principles density functional theory calculations were performed to investigate the structural stability and electronic properties of both phases under varying pressures. The results show that the defect chalcopyrite phase is more stable at lower pressures and becomes metallic above the transition pressure where the structures change.
A study of pion condensation within NJL model (Wroclaw, 2009)Roberto Anglani
1. The study investigates pion condensation in two-flavor quark matter using the Nambu–Jona-Lasinio model of QCD at finite density. It examines how the electric charge neutrality condition and explicit symmetry breaking via quark masses influence the onset of charged pion condensation.
2. It finds that the equality between the electric chemical potential and the in-medium pion mass persists as a threshold for a second-order phase transition to the pion condensed phase, even when pions are composite particles. Furthermore, the pion condensate is extremely fragile to symmetry breaking via current quark masses, and is ruled out for masses over 10 keV.
3. The study aims to
This document discusses a study investigating the optical absorption properties of a van der Waals heterostructure composed of monolayer molybdenum disulfide (MoS2) and phosphorene. The results show that individual MoS2 and phosphorene absorb in some parts of the visible spectrum, while their heterostructure absorbs strongly across the entire visible spectrum from 410-780nm. This is due to a redshift phenomenon where absorption is increased at longer wavelengths. Additionally, the heterostructure is found to have a type-II band alignment ideal for optoelectronic applications such as solar energy conversion.
First principles study of structural, electronic, elastic and mechanical prop...Alexander Decker
This document reports on a first principles study of the structural, electronic, elastic, and mechanical properties of GdSn3 and YbSn3 intermetallic compounds using density functional theory. Key findings include:
1) The calculated ground state properties, such as lattice constants and bulk moduli, agree well with experimental results.
2) Electronic band structure calculations show both compounds are metallic in nature.
3) Elastic constants are reported for the first time, and satisfy the stability criteria for cubic crystals.
4) Both compounds are predicted to be ductile based on their bulk to shear modulus ratio. Young's modulus suggests GdSn3 is stiffer than YbSn3.
This document summarizes research on tuning the electronic structure of tin and lead halide perovskites through atomic layering, epitaxial strain, and structural distortions. Key findings include:
1) Atomic layering of perovskites, either through organic linkers or in Ruddlesden-Popper phases, increases band gap due to quantum confinement effects.
2) Epitaxial strain of up to 3% and induced structural distortions can modify electronic structure and shift band gaps by over 1eV.
3) Atomic layering, strain, and distortions effectively tune band gaps throughout the visible spectrum for applications in solar cells.
We present the results on electronic and semi-conducting properties of YN in
rocksalt and zinc-blende structure by using FP-LAPW method as implemented in
the Wien2k code. By performing the volume optimization method, a theoretical
lattice constant is obtained which is used for performing our calculations. Results
on density of states (DOS) and energy bands of YN are presented. It is found that
YN acts as a semi-conducting behaviour in both the NaCl and ZB structures.
Electronic bands structure and gap in mid-infrared detector InAs/GaSb type II...IJERA Editor
We present here theoretical study of the electronic bands structure E (d1) of InAs (d1=25 Å)/GaSb (d2=25 Å) type
II superlattice at 4.2 K performed in the envelope function formalism. We study the effect of d1 and the offset ,
between heavy holes bands edges of InAs and GaSb, on the band gap Eg (), at the center of the first Brillouin
zone, and the semiconductor-to-semimetal transition. Eg (, T) decreases from 288.7 meV at 4.2 K to 230 meV
at 300K. In the investigated temperature range, the cut-off wavelength 4.3 m ≤ c ≤ 5.4 m situates this sample
as mid-wavelength infrared detector (MWIR). Our results are in good agreement with the experimental data
realized by C. Cervera et al.
Structural, Electronic and Gamma Shielding Properties of BxAl1-xAsIJMERJOURNAL
ABSTRACT: The structural and electronic properties of BxAl1-xAs ternary alloys in the zincblende structure were systematically investigated by using the first principles calculations. The local density approximation was used for exchanged and correlation interaction. The calculated band gap bowing parameter was discovered to be mightily composition dependent of the Boron concentration. Additionally, we have calculated some gamma shielding parameters of BxAl1-xAs ternary alloys. Primarily, the values of mass attenuation coefficients (μρ) were calculated using WinXCom computer program and then these parameters were utilized to calculate the values of electron density (Nel) and effective atomic number (Zeff) in the wide energy range (1 keV - 100 GeV).
The document summarizes key information about the CdGa2S4 semiconductor. It belongs to the ordered vacancy compound family, which contains direct bandgap materials less than 4 eV that can be used in optoelectronic devices. CdGa2S4 has a defect chalcopyrite structure at ambient conditions and undergoes a phase transition to a disordered rocksalt structure above 18.8 GPa. First-principles density functional theory calculations were performed to investigate the structural stability and electronic properties of both phases under varying pressures. The results show that the defect chalcopyrite phase is more stable at lower pressures and becomes metallic above the transition pressure where the structures change.
A study of pion condensation within NJL model (Wroclaw, 2009)Roberto Anglani
1. The study investigates pion condensation in two-flavor quark matter using the Nambu–Jona-Lasinio model of QCD at finite density. It examines how the electric charge neutrality condition and explicit symmetry breaking via quark masses influence the onset of charged pion condensation.
2. It finds that the equality between the electric chemical potential and the in-medium pion mass persists as a threshold for a second-order phase transition to the pion condensed phase, even when pions are composite particles. Furthermore, the pion condensate is extremely fragile to symmetry breaking via current quark masses, and is ruled out for masses over 10 keV.
3. The study aims to
This document discusses a study investigating the optical absorption properties of a van der Waals heterostructure composed of monolayer molybdenum disulfide (MoS2) and phosphorene. The results show that individual MoS2 and phosphorene absorb in some parts of the visible spectrum, while their heterostructure absorbs strongly across the entire visible spectrum from 410-780nm. This is due to a redshift phenomenon where absorption is increased at longer wavelengths. Additionally, the heterostructure is found to have a type-II band alignment ideal for optoelectronic applications such as solar energy conversion.
This document summarizes a study on the movement of metallic particles in gas insulated busduct systems. Computer simulations were used to model the movement of aluminum and copper particles in uncoated and coated 3-phase busduct enclosures. The simulations considered forces like electrostatic force, gravity, and drag. Results showed aluminum particles moved further than copper in uncoated systems. Coated enclosures significantly reduced particle movement compared to uncoated. Particle movement increased with higher voltages but coating prevented bridging between phases.
IRJET- The Ab Initio Study of Electronic and Optical Properties of CH3NH3ZnI3...IRJET Journal
This document summarizes an ab initio study of the electronic and optical properties of the perovskite solar cell material CH3NH3ZnI3. Key findings include:
1) CH3NH3ZnI3 has a direct bandgap of 0.34 eV, which is significantly smaller than the 1.53 eV bandgap of the commonly used CH3NH3PbI3 material.
2) X-ray diffraction data analysis showed that CH3NH3ZnI3 retains the original cuboctahedral crystal structure of CH3NH3PbI3.
3) Optical property calculations predicted CH3NH3ZnI3 would absorb electromagnetic radiation in the far UV region and
This document discusses colloidal systems and the surface forces that influence their behavior. It defines a colloidal system as consisting of two phases - a dispersed phase made of particles 1-1000nm in diameter, and a continuous phase that can be liquid, gas or solid. The large contact area between phases means surface forces strongly impact dispersion stability and properties. Four main surface forces are described - van der Waals forces, electrostatic double layer forces, depletion forces, and structural (oscillatory) forces. The document provides equations to calculate the strengths of each force and explains how they interact to determine overall colloidal stability and behavior.
Structural, elastic and electronic properties of 2H- and 4H-SiCIJERA Editor
The structural, five different elastic constants and electronic properties of 2H- and 4H-Silicon carbide (SiC) are investigated by using density functional theory (DFT). The total energies of primitive cells of 2H- and 4H-SiC phases are close to each other and moreover satisfy the condition E2H >E4H. Thus, the 4H-SiC structure appears to be more stable than the 2H- one. The analysis of elastic properties also indicates that the 4H-SiC polytype is stiffer than the 2H structures. The electronic energy bands, the total density of states (DOS) are calculated. The fully relaxed and isotropic bulk modulus is also estimated. The implication of the comparison of our results with the existing experimental and theoretical studies is made.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
Fall MRS 2013 - MgO grain boundaries structure and transportKedarnath Kolluri
1. The authors studied the structure and transport of oxygen vacancies in MgO grain boundaries using molecular statics and dynamics simulations with a simple ionic potential model.
2. They found that grain boundaries act as traps for oxygen vacancies, with segregation energies of compact vacancies in the range of 1.2-1.6 eV.
3. The vacancies can also exist in a delocalized state, where the vacancy fragments are separated across multiple atomic planes near the grain boundary. Delocalized configurations were found to have lower energies when the fragments were separated by an intermediate distance.
The document summarizes a study of the dielectric properties of nano-crystalline Mn-Zn ferrites. Samples of ZnxMn1-xFe2O4 where x ranges from 0.2 to 0.8 were synthesized using a solid-state route and characterized. The ac conductivity σ, dielectric constant ε', dielectric loss ε'', and loss tangent tan δ were measured from 100 Hz to 20 MHz. ε' and ε'' decreased with increasing frequency. σ was nearly frequency independent below 1 MHz and increased sharply above. The maximum dielectric constant and conductivity occurred for x=0.2, attributed to space charge polarization. The conduction mechanism was explained by electron hopping between Fe2+ and Fe
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
Prediction of electronic and magnetic properties of Full Heusler Alloy – Ir2CrAlIOSR Journals
This document summarizes a study that used density functional theory calculations to predict the structural, electronic, and magnetic properties of the full Heusler alloy Ir2CrAl. The calculations found that Ir2CrAl has:
1) A lattice constant of 5.9648 Å after structural optimization, with a bulk modulus of 270.9 GPa.
2) Half-metallic behavior with 100% spin polarization at the Fermi level, due to an indirect band gap of 0.3 eV in the minority spin channel.
3) Ferromagnetic ordering with a total magnetic moment of 3 μB per formula unit, in agreement with Slater-Pauling rules for Heusler alloys.
This document summarizes a research paper that analyzes the movement of metallic particles in gas insulated busduct systems due to electric fields. It presents analytical, finite difference, and finite element methods to model the electric fields and calculate particle trajectories. Simulation results show that aluminum and copper particle movement increases with higher voltages. The maximum radial movement is 10.75mm at 220kV and 35.66mm at 600kV using different field calculation methods.
This document provides an update on Benchmark 6, which models the flow of a charged concentration field using a coupled Cahn-Hilliard-Poisson formulation. The previous formulation was unsatisfactory, so changes were made to make the model more physical and different from a block co-polymer problem. The new formulation includes a concentration-dependent mobility, neutralizing background charge, applied external field, and zero particle and charge flow boundary conditions. Some tests were run in MOOSE to check that the solution behaves reasonably by tuning parameters like the dielectric constant and mobility.
Electrical properties of Ni0.4Mg0.6Fe2O4 ferritesIJERA Editor
Ni0.4Mg0.6Fe2O4 Ceramic samples were prepared by conventional double sintering approach and sintered at 1300oC/4 h. These ferrites are further characterized using X-ray diffractometer. The diffraction study reveals that the present compound shows perfect single phase cubic spinel structure. In addition, the behavior of distinct electrical properties such as dielectric constant (ε'), dielectric loss (ε") and ac-conductivity (ζac) as a function frequency as well as temperature is analyzed using the LCR controller.
10.1016-j.mssp.2015.01.037-Electrochemical investigation of graphene_nanoporo...Mahdi Robat Sarpoushi
This study investigated the effect of mixing graphene nanosheets and nanoporous carbon black on the surface morphology and electrochemical performance of electrodes prepared for supercapacitors. Electrodes containing 80% nanoporous carbon black, 10% graphene nanosheets, and 10% PTFE binder showed the highest specific capacitance of 10.22 F/g. The addition of nanoporous carbon black increased the proportion of outer charge stored on the electrode relative to the total charge stored, indicating higher current response and voltage reversal at the end potentials. Scanning electron microscopy images showed that adding nanoporous carbon black particles arranged the graphene nanosheets in different directions, increasing the specific surface area and changing diffusion characteristics to improve capacitance and reversibility
Geprags strain controlled magnetic science_direct_2014Phạm Công
1) The document investigates approaches to achieve nonvolatile switching of magnetization in ferromagnetic thin films using strain from piezoelectric actuators.
2) Experiments on Fe3O4 thin film/piezoelectric hybrids show significant strain-induced changes in magnetization, but domain formation limits switching.
3) A theoretical model demonstrates that with optimized engineering, strain could enable nonvolatile switching between two remanent magnetization states.
This document discusses the optimization and simulation of Josephson junctions as switching elements. It begins with an introduction stating the need to optimize Josephson junction parameters and characteristics to increase switching speed. It then provides a brief review of the Josephson effect and properties of Josephson junctions. The rest of the document details a theoretical approach to estimating junction parameters, characteristics, and optimization methods, and using computer simulation to model the dynamic response of Josephson junctions to better understand their switching performance and speed.
First principles study on structural and electronic properties of re ag (re= ...Alexander Decker
This article presents a first principles study of the structural, electronic, and mechanical properties of REAg (RE = Y, La, Pr, Er) intermetallic compounds using density functional theory. The results show that these compounds crystallize in the B2 (CsCl-type) structure and are metallic. Lattice constants, bulk moduli, and densities of states are calculated and compared to experimental values where available, showing good agreement. Electronic band structures indicate hybridization between RE d/f states and Ag s/p states near the Fermi level. Partial densities of states of the d orbitals suggest ErAg and YAg are more ductile than LaAg and PrAg due to delocalized Ag d states. Overall
Microstructure and properties of high temperature superconductorsSpringer
The document discusses type-II superconductors and high-temperature cuprate superconductors.
1) Type-II superconductors allow magnetic field penetration in the form of quantized flux lines called vortices above a lower critical field Hc1. Between Hc1 and an upper critical field Hc2, the material is in a mixed state containing a lattice of vortices.
2) High-temperature cuprate superconductors require doping to introduce charge carriers. Their superconducting phase occurs between 5-27% doping and peaks at around 16% doping, in contrast to monotonic behavior in conventional superconductors. Doping introduces charge inhomogeneity through charge stripes that
Collective modes in the CFL phase - New Journal of Physics 13 (2011) 055002Roberto Anglani
This document summarizes a study of collective modes in the color flavor-locked (CFL) phase of dense quark matter. The authors derive the effective Lagrangian for the Nambu-Goldstone (NG) boson associated with spontaneous breaking of quark number symmetry, and determine corrections to previous results. They also derive the kinetic Lagrangian for the Higgs mode and interaction terms between the Higgs and NG fields using a Nambu-Jona-Lasinio model. This provides an effective description of low-energy excitations in the CFL phase to understand properties of compact stars containing quark matter.
STM Observation of the Si(111) - (7×7) Reconstructed Surface Modified by Exce...IJECEIAES
The electronic properties of semiconductor surfaces change readily upon changing the carrier densities by controlling the dopant concentration. Additionally, excess dopant atoms can exert electric field which would affect the molecular adsorption process and could be used to manipulate the dynamic movement of confined molecules. A mechanism can be developed to control the molecular dynamic movement on modified semiconductor surface by dopants thus changing the effect of the electric field on the active molecules. In this study, the Si(111) surface was doped with phosphorus excessively using thermal diffusion process. The surface was then reconstructed to the 7×7 configuration via heating under UHV conditions and then studied through STM and STS techniques. The protrusions due to surface and subsurface P atoms appear brighter due to the lone electron pair. The 7×7 reconstruction would be destabilized after a critical P substitution of Si-adatom concentration due to high surface strain result in P-terminated (6√3×6√3)R30º reconstruction.
Superconductivity in Al-substituted Ba8Si46 clathratesYang Li
There is a great deal of interest vested in the superconductivity of Si clathrate compounds with sp3 network, in which the structure is dominated by strong covalent bonds among silicon atoms, rather than the metallic bonding that is more typical of traditional superconductors. A joint experimental and theoretical investigation of superconductivity in Al-substituted type-I silicon clathrates is reported. Samples of the general formula Ba8Si46xAlx, with different values of x were prepared. With an increase in the Al composition, the superconducting transition temperature TC was observed to decrease systematically. The resistivity measurement revealed
that Ba8Si42Al4 is superconductive with transition temperature at TC=5.5 K. The magnetic measurements showed that the bulk superconducting Ba8Si42Al4 is a type II superconductor. For x=6 sample Ba8Si40Al6, the superconducting transition was observed down to TC=4.7K which pointed to a strong suppression of superconductivity with increasing Al content as compared with TC=8K for Ba8Si46. Suppression of superconductivity can be attributed primarily to a
decrease in the density of states at the Fermi level, caused by reduced integrity of the sp3 hybridized networks as well as the lowering of carrier concentration. These results corroborated
by first-principles calculations showed that Al substitution results in a large decrease of the electronic density of states at the Fermi level, which also explains the decreased superconducting critical temperature within the BCS framework. The work provided a comprehensiveunderstanding of the doping effect on superconductivity of clathrates.
This document summarizes the properties and electronic structure of graphene and graphene nanoribbons. It describes how graphene was first theorized in the 1950s but not isolated until 2004. Graphene has exceptional properties such as strength, flexibility, and electron mobility. Confining graphene into nanoribbons can open a bandgap, making it suitable for field effect transistors. The bandgap increases as the nanoribbon width decreases. Graphene nanoribbon field effect transistors could have applications in logic devices and memory due to tunable bandgaps and higher performance compared to devices using only graphene.
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This document summarizes a study on the movement of metallic particles in gas insulated busduct systems. Computer simulations were used to model the movement of aluminum and copper particles in uncoated and coated 3-phase busduct enclosures. The simulations considered forces like electrostatic force, gravity, and drag. Results showed aluminum particles moved further than copper in uncoated systems. Coated enclosures significantly reduced particle movement compared to uncoated. Particle movement increased with higher voltages but coating prevented bridging between phases.
IRJET- The Ab Initio Study of Electronic and Optical Properties of CH3NH3ZnI3...IRJET Journal
This document summarizes an ab initio study of the electronic and optical properties of the perovskite solar cell material CH3NH3ZnI3. Key findings include:
1) CH3NH3ZnI3 has a direct bandgap of 0.34 eV, which is significantly smaller than the 1.53 eV bandgap of the commonly used CH3NH3PbI3 material.
2) X-ray diffraction data analysis showed that CH3NH3ZnI3 retains the original cuboctahedral crystal structure of CH3NH3PbI3.
3) Optical property calculations predicted CH3NH3ZnI3 would absorb electromagnetic radiation in the far UV region and
This document discusses colloidal systems and the surface forces that influence their behavior. It defines a colloidal system as consisting of two phases - a dispersed phase made of particles 1-1000nm in diameter, and a continuous phase that can be liquid, gas or solid. The large contact area between phases means surface forces strongly impact dispersion stability and properties. Four main surface forces are described - van der Waals forces, electrostatic double layer forces, depletion forces, and structural (oscillatory) forces. The document provides equations to calculate the strengths of each force and explains how they interact to determine overall colloidal stability and behavior.
Structural, elastic and electronic properties of 2H- and 4H-SiCIJERA Editor
The structural, five different elastic constants and electronic properties of 2H- and 4H-Silicon carbide (SiC) are investigated by using density functional theory (DFT). The total energies of primitive cells of 2H- and 4H-SiC phases are close to each other and moreover satisfy the condition E2H >E4H. Thus, the 4H-SiC structure appears to be more stable than the 2H- one. The analysis of elastic properties also indicates that the 4H-SiC polytype is stiffer than the 2H structures. The electronic energy bands, the total density of states (DOS) are calculated. The fully relaxed and isotropic bulk modulus is also estimated. The implication of the comparison of our results with the existing experimental and theoretical studies is made.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
Fall MRS 2013 - MgO grain boundaries structure and transportKedarnath Kolluri
1. The authors studied the structure and transport of oxygen vacancies in MgO grain boundaries using molecular statics and dynamics simulations with a simple ionic potential model.
2. They found that grain boundaries act as traps for oxygen vacancies, with segregation energies of compact vacancies in the range of 1.2-1.6 eV.
3. The vacancies can also exist in a delocalized state, where the vacancy fragments are separated across multiple atomic planes near the grain boundary. Delocalized configurations were found to have lower energies when the fragments were separated by an intermediate distance.
The document summarizes a study of the dielectric properties of nano-crystalline Mn-Zn ferrites. Samples of ZnxMn1-xFe2O4 where x ranges from 0.2 to 0.8 were synthesized using a solid-state route and characterized. The ac conductivity σ, dielectric constant ε', dielectric loss ε'', and loss tangent tan δ were measured from 100 Hz to 20 MHz. ε' and ε'' decreased with increasing frequency. σ was nearly frequency independent below 1 MHz and increased sharply above. The maximum dielectric constant and conductivity occurred for x=0.2, attributed to space charge polarization. The conduction mechanism was explained by electron hopping between Fe2+ and Fe
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
Prediction of electronic and magnetic properties of Full Heusler Alloy – Ir2CrAlIOSR Journals
This document summarizes a study that used density functional theory calculations to predict the structural, electronic, and magnetic properties of the full Heusler alloy Ir2CrAl. The calculations found that Ir2CrAl has:
1) A lattice constant of 5.9648 Å after structural optimization, with a bulk modulus of 270.9 GPa.
2) Half-metallic behavior with 100% spin polarization at the Fermi level, due to an indirect band gap of 0.3 eV in the minority spin channel.
3) Ferromagnetic ordering with a total magnetic moment of 3 μB per formula unit, in agreement with Slater-Pauling rules for Heusler alloys.
This document summarizes a research paper that analyzes the movement of metallic particles in gas insulated busduct systems due to electric fields. It presents analytical, finite difference, and finite element methods to model the electric fields and calculate particle trajectories. Simulation results show that aluminum and copper particle movement increases with higher voltages. The maximum radial movement is 10.75mm at 220kV and 35.66mm at 600kV using different field calculation methods.
This document provides an update on Benchmark 6, which models the flow of a charged concentration field using a coupled Cahn-Hilliard-Poisson formulation. The previous formulation was unsatisfactory, so changes were made to make the model more physical and different from a block co-polymer problem. The new formulation includes a concentration-dependent mobility, neutralizing background charge, applied external field, and zero particle and charge flow boundary conditions. Some tests were run in MOOSE to check that the solution behaves reasonably by tuning parameters like the dielectric constant and mobility.
Electrical properties of Ni0.4Mg0.6Fe2O4 ferritesIJERA Editor
Ni0.4Mg0.6Fe2O4 Ceramic samples were prepared by conventional double sintering approach and sintered at 1300oC/4 h. These ferrites are further characterized using X-ray diffractometer. The diffraction study reveals that the present compound shows perfect single phase cubic spinel structure. In addition, the behavior of distinct electrical properties such as dielectric constant (ε'), dielectric loss (ε") and ac-conductivity (ζac) as a function frequency as well as temperature is analyzed using the LCR controller.
10.1016-j.mssp.2015.01.037-Electrochemical investigation of graphene_nanoporo...Mahdi Robat Sarpoushi
This study investigated the effect of mixing graphene nanosheets and nanoporous carbon black on the surface morphology and electrochemical performance of electrodes prepared for supercapacitors. Electrodes containing 80% nanoporous carbon black, 10% graphene nanosheets, and 10% PTFE binder showed the highest specific capacitance of 10.22 F/g. The addition of nanoporous carbon black increased the proportion of outer charge stored on the electrode relative to the total charge stored, indicating higher current response and voltage reversal at the end potentials. Scanning electron microscopy images showed that adding nanoporous carbon black particles arranged the graphene nanosheets in different directions, increasing the specific surface area and changing diffusion characteristics to improve capacitance and reversibility
Geprags strain controlled magnetic science_direct_2014Phạm Công
1) The document investigates approaches to achieve nonvolatile switching of magnetization in ferromagnetic thin films using strain from piezoelectric actuators.
2) Experiments on Fe3O4 thin film/piezoelectric hybrids show significant strain-induced changes in magnetization, but domain formation limits switching.
3) A theoretical model demonstrates that with optimized engineering, strain could enable nonvolatile switching between two remanent magnetization states.
This document discusses the optimization and simulation of Josephson junctions as switching elements. It begins with an introduction stating the need to optimize Josephson junction parameters and characteristics to increase switching speed. It then provides a brief review of the Josephson effect and properties of Josephson junctions. The rest of the document details a theoretical approach to estimating junction parameters, characteristics, and optimization methods, and using computer simulation to model the dynamic response of Josephson junctions to better understand their switching performance and speed.
First principles study on structural and electronic properties of re ag (re= ...Alexander Decker
This article presents a first principles study of the structural, electronic, and mechanical properties of REAg (RE = Y, La, Pr, Er) intermetallic compounds using density functional theory. The results show that these compounds crystallize in the B2 (CsCl-type) structure and are metallic. Lattice constants, bulk moduli, and densities of states are calculated and compared to experimental values where available, showing good agreement. Electronic band structures indicate hybridization between RE d/f states and Ag s/p states near the Fermi level. Partial densities of states of the d orbitals suggest ErAg and YAg are more ductile than LaAg and PrAg due to delocalized Ag d states. Overall
Microstructure and properties of high temperature superconductorsSpringer
The document discusses type-II superconductors and high-temperature cuprate superconductors.
1) Type-II superconductors allow magnetic field penetration in the form of quantized flux lines called vortices above a lower critical field Hc1. Between Hc1 and an upper critical field Hc2, the material is in a mixed state containing a lattice of vortices.
2) High-temperature cuprate superconductors require doping to introduce charge carriers. Their superconducting phase occurs between 5-27% doping and peaks at around 16% doping, in contrast to monotonic behavior in conventional superconductors. Doping introduces charge inhomogeneity through charge stripes that
Collective modes in the CFL phase - New Journal of Physics 13 (2011) 055002Roberto Anglani
This document summarizes a study of collective modes in the color flavor-locked (CFL) phase of dense quark matter. The authors derive the effective Lagrangian for the Nambu-Goldstone (NG) boson associated with spontaneous breaking of quark number symmetry, and determine corrections to previous results. They also derive the kinetic Lagrangian for the Higgs mode and interaction terms between the Higgs and NG fields using a Nambu-Jona-Lasinio model. This provides an effective description of low-energy excitations in the CFL phase to understand properties of compact stars containing quark matter.
STM Observation of the Si(111) - (7×7) Reconstructed Surface Modified by Exce...IJECEIAES
The electronic properties of semiconductor surfaces change readily upon changing the carrier densities by controlling the dopant concentration. Additionally, excess dopant atoms can exert electric field which would affect the molecular adsorption process and could be used to manipulate the dynamic movement of confined molecules. A mechanism can be developed to control the molecular dynamic movement on modified semiconductor surface by dopants thus changing the effect of the electric field on the active molecules. In this study, the Si(111) surface was doped with phosphorus excessively using thermal diffusion process. The surface was then reconstructed to the 7×7 configuration via heating under UHV conditions and then studied through STM and STS techniques. The protrusions due to surface and subsurface P atoms appear brighter due to the lone electron pair. The 7×7 reconstruction would be destabilized after a critical P substitution of Si-adatom concentration due to high surface strain result in P-terminated (6√3×6√3)R30º reconstruction.
Superconductivity in Al-substituted Ba8Si46 clathratesYang Li
There is a great deal of interest vested in the superconductivity of Si clathrate compounds with sp3 network, in which the structure is dominated by strong covalent bonds among silicon atoms, rather than the metallic bonding that is more typical of traditional superconductors. A joint experimental and theoretical investigation of superconductivity in Al-substituted type-I silicon clathrates is reported. Samples of the general formula Ba8Si46xAlx, with different values of x were prepared. With an increase in the Al composition, the superconducting transition temperature TC was observed to decrease systematically. The resistivity measurement revealed
that Ba8Si42Al4 is superconductive with transition temperature at TC=5.5 K. The magnetic measurements showed that the bulk superconducting Ba8Si42Al4 is a type II superconductor. For x=6 sample Ba8Si40Al6, the superconducting transition was observed down to TC=4.7K which pointed to a strong suppression of superconductivity with increasing Al content as compared with TC=8K for Ba8Si46. Suppression of superconductivity can be attributed primarily to a
decrease in the density of states at the Fermi level, caused by reduced integrity of the sp3 hybridized networks as well as the lowering of carrier concentration. These results corroborated
by first-principles calculations showed that Al substitution results in a large decrease of the electronic density of states at the Fermi level, which also explains the decreased superconducting critical temperature within the BCS framework. The work provided a comprehensiveunderstanding of the doping effect on superconductivity of clathrates.
This document summarizes the properties and electronic structure of graphene and graphene nanoribbons. It describes how graphene was first theorized in the 1950s but not isolated until 2004. Graphene has exceptional properties such as strength, flexibility, and electron mobility. Confining graphene into nanoribbons can open a bandgap, making it suitable for field effect transistors. The bandgap increases as the nanoribbon width decreases. Graphene nanoribbon field effect transistors could have applications in logic devices and memory due to tunable bandgaps and higher performance compared to devices using only graphene.
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Magnetostatic Surface Waves in a Left Handed / Ferrite/ Metal-Strip-Grating ...ijrap
The dispersion characteristics for magnetostatic surface waves in a left handed ( LHM)/ferrite/ metal-stripgrating structure have been investigated. We found that, the waveguide supports backward TE waves
since both permittivity and magnetic permeability of LHM are negative. We also illustrated the
dependence of wave frequency on the reduced wave number for a grating shielding parameter, g values
restricted by the range 0 ≤ g ≥ 1. It is shown that the grating shielding parameter, g induces
magnetostatic backward shorter waves . The leakage through the grating increases with the wave number.
The shorter backward magnetostatic waves are guided by the thicker waveguide where the best
confinement is achieved .
FERROMAGNETIC-FERROELECTRIC COMPOSITE 1D NANOSTRUCTURE IN THE PURSUIT OF MAGN...ijrap
Nanocomposites of linear chain of ferroelectric-ferromagnetic crystal structure is considered. It is analyzed
theoretically in the motion equation method on the pursuit of magnonic excitations,lattice vibration
excitations and their interactions leading to a new collective mode of excitations,the electormagnons. In
this particular work, it is observed that the magnetizations and polarizations are tunable in a given temperature ranges for some specific values of the coupling order parameter.
Ferromagnetic-Ferroelectric Composite 1D Nanostructure in the Pursuit of Magn...ijrap
The document summarizes a theoretical analysis of a 1D nanocomposite structure consisting of linear chains of ferroelectric and ferromagnetic crystals. The analysis considers:
1) Magnetic and lattice vibration excitation modes are derived from Hamiltonians describing magnetic interactions and lattice oscillations.
2) An interaction Hamiltonian describes how magnetic and lattice excitations couple via strain mediation.
3) The effective Hamiltonian is used to derive an expression for the excitation frequency of new "electromagnons" arising from hybridized magnetic and lattice excitations.
4) Expressions for how the magnetization of the structure varies with temperature based on the excitation energy are presented.
Stillwell_ Strongly coupled electronic, magnetic, and lattice degrees of free...Ryan Stillwell, Ph.D.
This document summarizes research on the ferromagnetic compound LaCo5 under high pressure. X-ray diffraction measurements show an anisotropic lattice collapse of the c axis near 10 GPa, consistent with theoretical predictions. High-pressure magnetotransport measurements reveal changes in the Hall effect signatures near 10 GPa, providing the first experimental evidence of changes in the electronic and magnetic properties associated with the predicted magnetoelastic collapse. The coupling of structural, electronic, and magnetic behaviors in LaCo5 under pressure substantiates the theoretical model of an electronic topological transition driving the magnetoelastic collapse.
MAGNETOSTATIC SURFACE WAVES IN A LEFT HANDED / FERRITE/ METAL-STRIP-GRATING S...ijrap
The dispersion characteristics for magnetostatic surface waves in a left handed ( LHM)/ferrite/ metal-stripgrating
structure have been investigated. We found that, the waveguide supports backward TE waves
since both permittivity and magnetic permeability of LHM are negative. We also illustrated the
dependence of wave frequency on the reduced wave number for a grating shielding parameter, g values
restricted by the range 0 ≤ g ≥ 1. It is shown that the grating shielding parameter, g induces
magnetostatic backward shorter waves . The leakage through the grating increases with the wave number. The shorter backward magnetostatic waves are guided by the thicker waveguide where the best confinement is achieved
Coexistence of Superconductivity and Itinerant Ferromagnetism in Ucogeijrap
The coexistence of BCS superconductivity and itinerant ferromagnetism in uranium based intermetallic systems is analyzed using a Hubbard Hamiltonian. To obtain the superconducting transition
temperatureTC and Curie temperatureTFM , we used the Green’s function method. The order parameter of superconductivity ( ∆ ) and ferromagnetism ( m or I) are obtained in the mean field approximation. It is found that there generally exist coexistent solutions to coupled equations of the order parameter in the temperature range ( ) T TC TFM 0 < < min , . In our model, ferromagnetism is itinerant and therefore carried by the conduction electrons. This arises from a splitting of the spin-up and spin- down band. A consequence is that the ferromagnetism and superconductivity is carried by same electrons. Expressions for specific heat, energy spectra and density of states are derived. The specific heat has linear temperature dependence as opposed to that of the exponential decrease in the BCS theory. The density of states for a finite magnetic order parameter increases as opposed to that of a ferromagnetic metal. The theory is
applied to explain the observations in uranium based intermetallic compoundUCoGe . The agreement between theory and experiments is quite encouraging.
Coexistence of Superconductivity and Itinerant Ferromagnetism in Ucoge ijrap
The document presents a theoretical model for the coexistence of superconductivity and itinerant ferromagnetism in uranium-based intermetallic compounds. The model uses a Hubbard Hamiltonian and Green's function method to describe the system. It is able to obtain expressions for the superconducting order parameter, magnetic order parameter, and other observables. The theory can explain key experimental observations in uranium compounds like UCoGe, such as superconductivity only occurring in the ferromagnetic phase.
Study of Structural and Dielectric properties of BaTiO3 Doped with Mg-Cu-Zn F...IJSRD
The magnetoelectric (ME) composites having the general formula, (x) Mg0.25Cu0.25Zn0.5Fe2O4 + (1-x) BaTiO3 (x=15%, 30%, 45%) were synthesized by sintering mixtures of highly ferroelectric BaTiO3 and highly magnetostrictive magnetic component Mg0.25Cu0.25Zn0.5Fe2O4. The presence of constituent phases of ferrite, ferroelectric and their composites were confirmed by X-ray diffraction (XRD) studies. Surface morphology of the samples has been investigated using Field Emission Scanning Electron Microscope (FESEM), which revealed uniform mixing of two phases. The variations in dielectric constant and dissipation factor as a function of frequency from 100 Hz to 1 MHz were measured in a Hioki LCR Hi-Tester. The dielectric constant and dielectric loss were found to decrease rapidly in the low frequency region and became almost constant in the high frequency region. The electrical conductivity deduced from the measured dielectric parameters has been analyzed and found that the conduction mechanism in these composites is in conformity with small polaron hopping model.
This document is Matthew Conrad's thesis proposal for a PhD in physics at the Georgia Institute of Technology. The proposal focuses on studying the buffer layer, the first graphene layer that forms on silicon carbide (SiC) substrates. Conrad provides background on graphene and how it forms semiconducting layers on SiC. He summarizes preliminary results characterizing the atomic and electronic structure of the buffer layer using surface x-ray diffraction and angle-resolved photoemission spectroscopy. The future work section outlines plans for detailed experimental and theoretical studies to better understand how the buffer layer can be tailored into a viable form of semiconducting graphene.
This document calculates and compares the electron mobility in wurtzite (WZ) and zincblende (ZB) forms of aluminum nitride (AlN) using an iterative method. It solves the Boltzmann transport equation taking into account various scattering mechanisms between 100-600K. Total scattering rates in WZ-AlN are higher than in ZB-AlN due to differences in bandgap and electron effective mass. Electron mobility is higher in WZ-AlN (337.61 cm2/V-s at 300K) than ZB-AlN (152.254 cm2/V-s) and decreases with increasing temperature and electron concentration in both structures.
EVALUATING STRUCTURAL, OPTICAL & ELECTRICAL CHARACTERIZATION OF ZINC CHALCOGE...Editor IJCATR
To evaluate the structural, optical & electrical properties of the zinc chalcogenides (ZnO, ZnS, ZnSe & ZnTe), the Full
Potential Linearized – Augumented Plane Wave plus Local Orbits (FP – LAPW+lo) method. For the purpose of exchange-correlation
energy (Exc) determination in Kohn–Sham calculation, the standard local density approximation (LDA) formalism has been utilized.
Murnaghan’s equation of state (EOS) has been used for volume optimization by minimizing the total energy with respect to the unit
cell volume. With the result of electronic density of states (DOS), the structural, optical and electrical properties of Zinc chalcogenides
have been calculated. The second derivative of energy, as a function of lattice strain has been successfully used to estimate the elastic
constants of these binary compounds. The results are in good agreement with other theoretical calculations as well as available
experimental data.
SURFACE POLARITONS IN GAAS/ALGAAS/LH HETROJUNCTION STRUCTURE IN A HIGH MAGNET...ijrap
This document summarizes research on surface polaritons in a GaAs/AlGaAs heterojunction structure with a left-handed material upper layer in a high magnetic field. The dispersion characteristics of surface polaritons are investigated using dielectric constants of GaAs and AlGaAs layers and a defined AlGaAs thickness. Electromagnetic waves are derived for the structure considering transverse magnetic and electric waves. Boundary conditions at layer interfaces and a surface current lead to a dispersion equation relating frequency, wave vector, conductivity, and layer properties. Calculated dispersion curves show frequency increases significantly when a left-handed upper layer is used compared to a dielectric layer.
Report on Giant Magnetoresistance(GMR) & Spintronicsaltafmahmood1
This document provides background information on giant magnetoresistance (GMR). It discusses how GMR was discovered in 1988 by two research groups who found that thin film structures made of alternating ferromagnetic and nonmagnetic layers exhibited a significant decrease in electrical resistance of up to 80% in the presence of an external magnetic field. This effect occurs because the magnetization of adjacent ferromagnetic layers changes from antiparallel to parallel when a field is applied, lowering magnetic scattering and resistance. The discovery of GMR opened up new possibilities for data storage technologies and magnetic sensors.
Dynamics of Twointeracting Electronsinthree-Dimensional LatticeIOSR Journals
The physical property of strongly correlated electrons on a three-dimensional (3D) 3 x 3 x 3 cluster of the simple cubic lattice is here presented.In the work we developed the unit step Hamiltonian as a solution to the single band Hubbard Hamiltonian for the case of two electrons interaction in a finite three dimensional lattice. The approximation to the Hubbard Hamiltonian study is actually necessary because of the strong limitation and difficulty pose by the Hubbard Hamiltonian as we move away from finite - size lattices to larger N - dimensional lattices. Thus this work has provided a means of overcoming the finite - size lattice defects as we pass on to a higher dimension. We have shown in this study, that the repulsive Coulomb interaction which in part leads to the strong electronic correlations, would indicate that the two electron system prefer not to condense into s-wave superconducting singlet state (s = 0), at high positive values of the interaction strength. This study reveals that when the Coulomb interaction is zero, that is, for free electron system (non-interacting), thevariational parameters which describe the probability distribution of lattice electron system is the same. The spectra intensity for on-site electrons is zero for all values of the interaction strength
This document is Gregory Daly's final year project report on multiferroic manganites for his degree at the University of Warwick. The project aims to discover if doping compounds of Sm1−xLuxMnO3 with Lu can induce multiferroic behavior, and if so how the properties are affected by external magnetic fields. The report summarizes the magnetic, dielectric and structural properties found for doping levels from 0 to 1, including the observation of multiferroic behavior at a doping of x=0.2. It also reviews the relevant theory on multiferroics, magnetic interactions and ordering.
Spinor Transformation and Antiferromagnetism in Iron Based SuperconductorsIOSR Journals
This document discusses spinor transformation and antiferromagnetism in iron-based superconductors. It proposes a theory to account for spinor transformation, antiferromagnetism, and superconductivity in iron-based superconductors through the direct d-orbital overlap of iron. The theory shows the transition from Nambu spinors to Fourier's Green functions, leading to antiferromagnetic and superconducting states. It derives equations to represent the magnetic and superconducting elements, and describes how spinor transformation results in four-component spinors that account for exchange interaction between electron bands, determining possible antiferromagnetic gaps.
A Nano Capacitor Including Graphene Layers Composed with Doped Boron and Nitr...CrimsonPublishersRDMS
A Nano Capacitor Including Graphene Layers Composed with Doped Boron and Nitrogen by Majid Monajjemi* in Crimson Publishers: Peer Reviewed Material Science Journals
EWOCS-I: The catalog of X-ray sources in Westerlund 1 from the Extended Weste...Sérgio Sacani
Context. With a mass exceeding several 104 M⊙ and a rich and dense population of massive stars, supermassive young star clusters
represent the most massive star-forming environment that is dominated by the feedback from massive stars and gravitational interactions
among stars.
Aims. In this paper we present the Extended Westerlund 1 and 2 Open Clusters Survey (EWOCS) project, which aims to investigate
the influence of the starburst environment on the formation of stars and planets, and on the evolution of both low and high mass stars.
The primary targets of this project are Westerlund 1 and 2, the closest supermassive star clusters to the Sun.
Methods. The project is based primarily on recent observations conducted with the Chandra and JWST observatories. Specifically,
the Chandra survey of Westerlund 1 consists of 36 new ACIS-I observations, nearly co-pointed, for a total exposure time of 1 Msec.
Additionally, we included 8 archival Chandra/ACIS-S observations. This paper presents the resulting catalog of X-ray sources within
and around Westerlund 1. Sources were detected by combining various existing methods, and photon extraction and source validation
were carried out using the ACIS-Extract software.
Results. The EWOCS X-ray catalog comprises 5963 validated sources out of the 9420 initially provided to ACIS-Extract, reaching a
photon flux threshold of approximately 2 × 10−8 photons cm−2
s
−1
. The X-ray sources exhibit a highly concentrated spatial distribution,
with 1075 sources located within the central 1 arcmin. We have successfully detected X-ray emissions from 126 out of the 166 known
massive stars of the cluster, and we have collected over 71 000 photons from the magnetar CXO J164710.20-455217.
ANAMOLOUS SECONDARY GROWTH IN DICOT ROOTS.pptxRASHMI M G
Abnormal or anomalous secondary growth in plants. It defines secondary growth as an increase in plant girth due to vascular cambium or cork cambium. Anomalous secondary growth does not follow the normal pattern of a single vascular cambium producing xylem internally and phloem externally.
The use of Nauplii and metanauplii artemia in aquaculture (brine shrimp).pptxMAGOTI ERNEST
Although Artemia has been known to man for centuries, its use as a food for the culture of larval organisms apparently began only in the 1930s, when several investigators found that it made an excellent food for newly hatched fish larvae (Litvinenko et al., 2023). As aquaculture developed in the 1960s and ‘70s, the use of Artemia also became more widespread, due both to its convenience and to its nutritional value for larval organisms (Arenas-Pardo et al., 2024). The fact that Artemia dormant cysts can be stored for long periods in cans, and then used as an off-the-shelf food requiring only 24 h of incubation makes them the most convenient, least labor-intensive, live food available for aquaculture (Sorgeloos & Roubach, 2021). The nutritional value of Artemia, especially for marine organisms, is not constant, but varies both geographically and temporally. During the last decade, however, both the causes of Artemia nutritional variability and methods to improve poorquality Artemia have been identified (Loufi et al., 2024).
Brine shrimp (Artemia spp.) are used in marine aquaculture worldwide. Annually, more than 2,000 metric tons of dry cysts are used for cultivation of fish, crustacean, and shellfish larva. Brine shrimp are important to aquaculture because newly hatched brine shrimp nauplii (larvae) provide a food source for many fish fry (Mozanzadeh et al., 2021). Culture and harvesting of brine shrimp eggs represents another aspect of the aquaculture industry. Nauplii and metanauplii of Artemia, commonly known as brine shrimp, play a crucial role in aquaculture due to their nutritional value and suitability as live feed for many aquatic species, particularly in larval stages (Sorgeloos & Roubach, 2021).
hematic appreciation test is a psychological assessment tool used to measure an individual's appreciation and understanding of specific themes or topics. This test helps to evaluate an individual's ability to connect different ideas and concepts within a given theme, as well as their overall comprehension and interpretation skills. The results of the test can provide valuable insights into an individual's cognitive abilities, creativity, and critical thinking skills
The ability to recreate computational results with minimal effort and actionable metrics provides a solid foundation for scientific research and software development. When people can replicate an analysis at the touch of a button using open-source software, open data, and methods to assess and compare proposals, it significantly eases verification of results, engagement with a diverse range of contributors, and progress. However, we have yet to fully achieve this; there are still many sociotechnical frictions.
Inspired by David Donoho's vision, this talk aims to revisit the three crucial pillars of frictionless reproducibility (data sharing, code sharing, and competitive challenges) with the perspective of deep software variability.
Our observation is that multiple layers — hardware, operating systems, third-party libraries, software versions, input data, compile-time options, and parameters — are subject to variability that exacerbates frictions but is also essential for achieving robust, generalizable results and fostering innovation. I will first review the literature, providing evidence of how the complex variability interactions across these layers affect qualitative and quantitative software properties, thereby complicating the reproduction and replication of scientific studies in various fields.
I will then present some software engineering and AI techniques that can support the strategic exploration of variability spaces. These include the use of abstractions and models (e.g., feature models), sampling strategies (e.g., uniform, random), cost-effective measurements (e.g., incremental build of software configurations), and dimensionality reduction methods (e.g., transfer learning, feature selection, software debloating).
I will finally argue that deep variability is both the problem and solution of frictionless reproducibility, calling the software science community to develop new methods and tools to manage variability and foster reproducibility in software systems.
Exposé invité Journées Nationales du GDR GPL 2024
What is greenhouse gasses and how many gasses are there to affect the Earth.moosaasad1975
What are greenhouse gasses how they affect the earth and its environment what is the future of the environment and earth how the weather and the climate effects.
Or: Beyond linear.
Abstract: Equivariant neural networks are neural networks that incorporate symmetries. The nonlinear activation functions in these networks result in interesting nonlinear equivariant maps between simple representations, and motivate the key player of this talk: piecewise linear representation theory.
Disclaimer: No one is perfect, so please mind that there might be mistakes and typos.
dtubbenhauer@gmail.com
Corrected slides: dtubbenhauer.com/talks.html
Remote Sensing and Computational, Evolutionary, Supercomputing, and Intellige...University of Maribor
Slides from talk:
Aleš Zamuda: Remote Sensing and Computational, Evolutionary, Supercomputing, and Intelligent Systems.
11th International Conference on Electrical, Electronics and Computer Engineering (IcETRAN), Niš, 3-6 June 2024
Inter-Society Networking Panel GRSS/MTT-S/CIS Panel Session: Promoting Connection and Cooperation
https://www.etran.rs/2024/en/home-english/
Comparing Evolved Extractive Text Summary Scores of Bidirectional Encoder Rep...University of Maribor
Slides from:
11th International Conference on Electrical, Electronics and Computer Engineering (IcETRAN), Niš, 3-6 June 2024
Track: Artificial Intelligence
https://www.etran.rs/2024/en/home-english/
The debris of the ‘last major merger’ is dynamically youngSérgio Sacani
The Milky Way’s (MW) inner stellar halo contains an [Fe/H]-rich component with highly eccentric orbits, often referred to as the
‘last major merger.’ Hypotheses for the origin of this component include Gaia-Sausage/Enceladus (GSE), where the progenitor
collided with the MW proto-disc 8–11 Gyr ago, and the Virgo Radial Merger (VRM), where the progenitor collided with the
MW disc within the last 3 Gyr. These two scenarios make different predictions about observable structure in local phase space,
because the morphology of debris depends on how long it has had to phase mix. The recently identified phase-space folds in Gaia
DR3 have positive caustic velocities, making them fundamentally different than the phase-mixed chevrons found in simulations
at late times. Roughly 20 per cent of the stars in the prograde local stellar halo are associated with the observed caustics. Based
on a simple phase-mixing model, the observed number of caustics are consistent with a merger that occurred 1–2 Gyr ago.
We also compare the observed phase-space distribution to FIRE-2 Latte simulations of GSE-like mergers, using a quantitative
measurement of phase mixing (2D causticality). The observed local phase-space distribution best matches the simulated data
1–2 Gyr after collision, and certainly not later than 3 Gyr. This is further evidence that the progenitor of the ‘last major merger’
did not collide with the MW proto-disc at early times, as is thought for the GSE, but instead collided with the MW disc within
the last few Gyr, consistent with the body of work surrounding the VRM.
The debris of the ‘last major merger’ is dynamically young
1512.08702
1. arXiv:1512.08702v1
[cond-mat.supr-con]
29
Dec
2015
EFFECT OF EXTERNAL MAGNETIC FIELD ON THE CO-EXISTENCE OF
SUPERCONDUCTIVITY AND ANTIFERROMAGNETISM IN RARE EARTH
NICKEL BOROCARBIDES (RNi2B2C)
Salila Das1
, ∀Prakash Chandra Padhi2
1
Department of Physics, Berhampur University, Berhampur-760007, Odisha, India
2
Bhabha Nagar (Lane-4),Berhampur-760004, Odisha, India
sd.phy@buodisha.edu.in
Abstract
In this paper we have studied the effect of external magnetic field in the co-
existing phase of superconducting and anti-ferromagnetism of rare earth nickel boro-
carbides. The anti-ferromagnetism in these systems might have originated due to
both localized ’f’ electrons as well as itinerant electrons which are responsible for
conduction. On the other hand, superconductivity is due to spin density wave,
arising out of Fermi surface instability. The anti-ferromagnetism order is mostly
influenced by hybridization of the ’f’ electron with the conduction electron. Here
we have obtained the dependence of superconducting energy gap as well as stag-
gered magnetic field on temperature T and energy ǫk in a framework based on mean
field Hamiltonian using double time electron Green’s function. We have shown in
our calculation the effect of external magnetic field on superconducting and anti-
ferromagnetic order parameter for Y Ni2B2C in the presence of hybridization. The
ratio of the calculated effective gap and TC is close to BCS value which agrees quite
well with experimental results.
1
2. 1 Introduction
The rare earth nickel borocarbide RNi2B2C (R = Y,Lu,Tm,Er,Ho,Dy) compounds
are known for exhibiting both superconductivity and long range anti-ferromagnetic
order[1-2]. These compounds have two generally conflicting long range orders in
an accessible temperature range and thus have attracted the attention of many
researchers in this field[1-4]. They have layer structure consisting of R − C sheets
separated by Ni2B2 layers along the crystallographic c-axis[3] similar to that of high
Tc superconductors. In spite of the layered structure these compounds have isotropic
normal state which are supported by band structure calculation[5,6]. This result is
supported experimentally by calculated resistivity data in single crystal Y Ni2B2C
[7]. An explicit study on these compounds can disclose many effects on the rela-
tionship between superconductivity and anti-ferromagnetism[8-9]. Hence, the large
electron-electron coupling, high phonon frequencies and considerably large density
of states at the Fermi surface, give evidence of the phonon mediated BCS mecha-
nism for superconductivity[6,9,10]. The experimental data shows an anisotropic[3]
nature of the superconducting state, which contradict with other observed data.
In upper critical field measurement, LuNi2B2C exhibits anisotropy when magnetic
field is applied parallel and perpendicular to c-axis which is not shown by Y- com-
pounds[3,11]. Similarly, the experimental data on thermal conductivity[12] and
photo-emission spectroscopic measurement [13] show large anisotropy[14] with the
existence of node in the superconducting gap function. The specific heat, magne-
tization and resistivity measurements point towards the s-wave symmetry and the
pairing is mediated by the electron-phonon interaction[15].
From the band structure calculation[5,6] of borocarbides, it is found that one of
the four bands crossing the Fermi level is a flat one indicates the system being a
correlated one. This flat band has the largest contribution to the density of states at
Fermi surface suggesting it’s dominance in the formation of superconducting state
[6,16]. On the other hand, the flat band hybridizes with the conduction band formed
out of other three bands (consisting of Y, B, C). There is a peak in the density of
states at the Fermi level to which the d-band of nickel and bands of Y(5d),B(2p)and
C(2p) electrons [5,6,16] contribute. Here we have extended the model as proposed
by Fulde and others[17-20] to study the co-existence of superconductivity (SC) and
anti-ferromagnetism (AFM) in presence of external magnetic field. In the present
communication, we have included hybridization effect and the study of the effect of
external magnetic field on the order parameters.The organization of the paper re-
flects: In section 2, the framework of our model is briefly presented, where we have
obtained the equation for superconducting and staggered magnetic field gap param-
eter by using double time Green function of Zubarev type[21]. Section 3 explains
2
3. parameters for numerical calculation and discussion. Finally section 4 provides the
concluding remark.
2 Theoretical Framework
Superconductivity in the rare-earth nickel borocarbides can be described by the
usual BCS theory mediated by the phonon. The anti-ferromagnet might have orig-
inated from both the localized f-electrons and itinerant electrons responsible for
conduction. The itinerant electron which arises from spin density wave (SDW)
due to Fermi surface instability contributed to AFM, is also responsible for super-
conductivity. Thus the localized magnetic moments due to staggered sub lattice
magnetization co-exists with superconductivity. Besides this, the electrons in a lo-
calized level hybridize with the conduction electrons near the Fermi level. Fulde et al
[17] while describing the heavy fermion behaviour for copper oxide superconductors,
showed that the f-level of the rare earth atoms hybridizes with the conduction band.
In case of rare earth nickel borocarbides, the f-level of the rare earth atoms lies too
far below the Fermi level to affect the electronic properties of the system as seen
from band structure calculations [5,6]. Due to hybridization, the sub-lattice AFM
acquire the character of localized state of the flat d-band[18]. The order parameters
corresponding to the AFM and the SC long range orders have been calculated for
rare earth nickel borocarbides[18,19]. In our model Hamiltonian present below, we
have included the effect of hybridization in presence of external magnetic field. The
anti-ferromagnetic exchange leads to long range anti ferromagnetic order due to the
spin alignment in Ni lattice site. This helps in dividing Ni lattice into two sub-
lattices. If A and B denote two sub-lattice of Ni system, the Hamiltonian expressed
in [17,18] can be extended to
H =
X
k,σ
ǫo(k)(a†
kσbkσ + h.c.) + (
h
2
)
X
kσ
σ(a†
kσakσ − b†
kσbkσ)
+V
X
kσ
(a†
kσf1,kσ + b†
kσf2,kσ + h.c.) − ∆
X
k
h
(a†
k↑a†
−k↓ + h.c.) + (b†
k↑b†
−k↓ + h.c.)
i
+
X
kσ
(ǫf + σgµBB)
X
kσ,i=1,2
f†
ikσfikσ + gµBB
X
kσ
σ(a†
kσakσ + b†
kσbkσ) (1)
where k, σ a†
kσ(akσ) and b†
kσ(bkσ) are the momentum, spin, creation (annihilation)
operators of electrons belonging to the two sub lattices A and B respectively. The
first term describes the hopping of conduction electrons between neighbouring sites
of Ni and dispersion[17] is given by
3
4. ǫo(k) = −2t(cos kx + cos ky) (2)
here t is the nearest neighbour hopping integral. The lattice constant has been set
equal to unity. The second term is due to staggered magnetic field h arising from
Heisenberg exchange interaction between the magnetic moments of neighborouring
sites. This field acts on the Ni spins and strongly reduces the charge fluctuation
between different sites [18]. ’h’ is the strength of the sub lattice magnetisation (also
anti-ferromagnetic order parameter) and is expressed [18] as
h = −
1
2
gµB
X
kσ
h
< a†
kσakσ > − < b†
kσbkσ >
i
(3)
g and µB being the Lande g factor and Bohr magnetron, respectively. The third term
describes the effective hybridization. V is the hybridization interaction constant
[17] and is taken to be independent of k. For simplicity we have taken on-site
hybridization (the localized electron belonging to sub-lattice 1 hybridize with the
conduction electron of that sub-lattice alone and so on). The fourth term describes
the attractive interaction of the charge carriers on the Ni2B2 planes leading to
cooper pair formation. We have considered BCS type phonon mediated cooper
pairing for superconductivity and intra sub-lattice cooper pairing is assumed to
make the calculation simpler. The superconducting gap parameter (∆) is defined as
∆ = −
X
k
Ṽk
a†
k↑a†
−k↓ + b†
k↑b†
−k↓
(4)
Ṽk is the strength of the attractive interaction between two electrons mediated
by phonon. The intra f-electron Hamiltonian in presence of magnetic field is given
by
Hf = (ǫf +
1
2
gµBB)
X
i,ki=1,2
f†
ik↑fik↑ + (ǫf −
1
2
gµBB)
X
i,ki=1,2
f†
ik↓fik↓ (5)
ǫf is the dispersion less re normalized f-level energy of the rare earth ions.
f†
ikσ(fikσ) is the creation (annihilation) operator of the localized electron in the
two sub-latices (i=1,2). The external magnetic field acts on moments of rare earth
and Ni element which are parallel to each other. As a result, the external field
splits the two field degenerate bands and new quasi particle energies are obtained.
( ǫF → ǫF ± 1
2
gµBB ). The Hamiltonian due to external magnetic field B on the Ni
lattice is given by
HB =
1
2
gµBB[
X
~
k
(a†
~
k↑
a~
k↑ + b†
~
k↑
b~
k↑) −
X
~
k
(a†
~
k↓
a~
k↓ + b†
~
k↓
b~
k↓)] (6)
4
5. 2.1 Superconducting gap
We study the Hamiltonian given in equation (1) with the help of Green’s function
technique using the equation of motion for the single particle green function of
Zubarev type [21]. We have defined the green functions Ai(k, w), Bi(k, w), Ci(k, w),
Di(k, w)(i=1,6). We have considered the following Green functions in our present
calculation.
A1(k, ω) = ≪ ak↑; a†
k↑ ≫ω
A2(k, ω) = ≪ a†
−k↓; a†
k↑ ≫ω
B1(k, ω) = ≪ bk↑; b†
k↑ ≫ω
B2(k, ω) = ≪ b†
−k↓; b†
k↑ ≫ω
C1(k, ω) = ≪ ak↓; a†
k↓ ≫ω
D1(k, ω) = ≪ bk↓; b†
k↓ ≫ω (7)
For our convenience, we have dropped the k and w dependence of Green’s function.
The Fermi level is taken as zero (ǫF = 0) and the re-normalized localized f energy
level is assumed to coincide with the Fermi level for simplicity. The above Green’s
functions are evaluated by using equation of motion and commutation relation of the
fermion operators akσ, bkσ, f1kσ .The coupled equations in Ai(k, ω),Bi(k, ω) Ci(k, ω),
Di(k, ω) for i = 1, 2 are solved and those equations can be expressed in form of
A1,2 =
ω′
4π
ω′
(ω′
− (∆ − h
2
)) − V 2
ω′4 − ω′2E2
1k + V 4
±
ω′
(ω′
+ (∆ + h
2
)) − V 2
ω′4 − ω′2E2
2k + V 4
#
(8)
B1,2 =
ω′
4π
ω′
(ω′
− (∆ + h
2
)) − V 2
ω′4 − ω′2E2
2k + V 4
±
ω′
(ω′
+ (∆ − h
2
)) − V 2
ω′4 − ω′2E2
1k + V 4
#
(9)
C1 =
ω′′
4π
ω′′
(ω′′
+ (∆ − h
2
)) − V 2
ω′′4 − ω′′2E2
1k + V 4
+
ω′′
(ω′′
− (∆ + h
2
)) − V 2
ω′′4 − ω′′2E2
2k + V 4
#
(10)
D1 =
ω′′
4π
ω′′
(ω′′
+ (∆ + h
2
)) − V 2
ω′′4 − ω′′2E2
2k + V 4
+
ω′′
(ω′′
− (∆ − h
2
)) − V 2
ω′′4 − ω′′2E2
1k + V 4
#
(11)
5
6. where
E2
1k = ǫ2
1k + 2V 2
E2
2k = ǫ2
2k + 2V 2
ǫ2
1k = ǫ2
0(k) + (∆ −
h
2
)2
ǫ2
2k = ǫ2
0(k) + (∆ +
h
2
)2
(12)
and
ω′
= ω −
1
2
gµBB
h′
= h + gµBB
h′′
= h − gµBB (13)
In the limit, when h → 0, equation (12) reduces to BCS expression. The two
band vanishes in the absence of hybridization. The existence of four distinct bands
in presence of hybridization indicates the co-existence of anti-ferromagnetism and
superconductivity. In the limiting condition when h
2
→ ∆ , ǫ1k → ±ǫ0(k), supercon-
ductivity is suppressed by the anti-ferromagnetism. Similarly ǫ2k → ±[ǫ2
0(k)+2∆2
]
1
2
shows superconductivity is enhanced by the anti-ferromagnetic order in these two
bands. The poles of the Green’s functions A1,2(w), B1,2(w), C1(w), D1(w) are ob-
tained from
ω′4
− ω′2
E2
1k + V 4
= 0
ω′4
− ω′2
E2
2k + V 4
= 0 (14)
The solutions of the above equations are eight poles of the Green’s functions
A1,2(k, ω),B1,2(k, ω). Solving the equation (14), we get
ω′
1± = ±
r
1
2
(E2
1k +
q
E4
1k − 4V 4)
ω′
2± = ±
r
1
2
(E2
1k −
q
E4
1k − 4V 4) (15)
6
7. and
ω′
3± = ±
r
1
2
(E2
2k +
q
E4
2k − 4V 4)
ω′
4± = ±
r
1
2
(E2
2k −
q
E4
2k − 4V 4) (16)
These eight poles give eight quasi particle energy bands ω′
i±(i = 1 to 4). The super-
conducting gap parameter (∆ ) in equation (4) can be explicitly written in terms of
temperature dependent parameter and its integral form which can be expressed as
∆(T) = −Σk
e
Vk
h
a†
k↑a†
−k↓ + b†
k↑b†
−k↓
i
(17)
and
∆(T) = −e
V N(0)
Z +ωD
−ωD
dǫ0(k)
h
a†
k↑a†
−k↓ + b†
k↑b†
−k↓
i
(18)
N(0) is the density of state of the conduction electrons at the Fermi level ǫF and
ωD is the Debye frequency. The limitation on the k sum is due to the restriction of
attractive interaction, which is effective with energies |ǫ1 − ǫ2| ωD. In the weak
coupling limit, the interaction potential e
Vk is
e
Vk = −V0 if |ǫ1 − ǫ2| ωD
= 0 otherwise
Approximating the gap parameter to be independent of k, We can derive the
equations for single particle co-relation function as [17,18]
a†
k↑a†
−k↓ + b†
k↑b†
−k↓ = i lim
ǫ→0
Z
dω
(eβω + 1)
[A2B2(ω + iǫ) − A2B2(ω − iǫ)](19)
7
8. Using equations (8) and (9) in equation (19), we obtain as
a†
−
→
k ↑
a†
−
→
-k↓
+ b†
−
→
k ↑
b†
−
→
-k↓
=
∆ − h
2
2
p
E4
1k − 4V 4
ω′
1
1
eβ α
2 eβω′
1 + 1
−
1
eβ α
2 e−βω′
1 + 1
−ω′
2
1
eβ α
2 eβω′
2 + 1
−
1
eβ α
2 e−βω′
2 + 1
+
∆ + h
2
2
p
E4
2k − 4V 4
ω′
3
1
eβ α
2 eβω′
3 + 1
−
1
eβ α
2 e−βω′
3 + 1
−ω′
4
1
eβ α
2 eβω′
4 + 1
−
1
eβ α
2 e−βω′
4 + 1
(20)
The expression for the superconducting order parameter can be restructured as
∆(T) = −Ṽ N(0)
Z +wD
−wD
dǫo(k)[F1(
−
→
k,T) + F2(
−
→
k,T)] (21)
where
F1
−
→
k,T
=
∆ − h
2
2
p
E4
1k − 4V 4
{ω′
1(
1
eβ α
2 eβω′
1 + 1
−
1
eβ α
2 e−βω′
1 + 1
)
−ω′
2(
1
eβ α
2 eβω′
2 + 1
−
1
eβ α
2 e−βω′
2 + 1
)}
(22)
and
F2
−
→
k,T
=
∆ + h
2
2
p
E4
2k − 4V 4
{ω′
3(
1
eβ α
2 eβω′
3 + 1
−
1
eβ α
2 e−βω′
3 + 1
)
−ω′
4(
1
eβ α
2 eβω′
4 + 1
−
1
eβ α
2 e−βω′
4 + 1
)} (23)
2.2 Staggered Magnetic Field h
The staggered magnetic field h as given in equation (3) is responsible for anti-
ferromagnetism and is assumed to be constant.The expression for staggered magnetic
field strength in presence of external magnetic field is given as
h = −
1
2
gµB
X
k
[{ a†
k↑ak↑ − b†
k↑bk↑ } − { a†
k↓ak↓ − b†
k↓bk↓ }] (24)
8
9. and
h = −
N(0)
2
gµB
Z − W
2
+ W
2
dǫ0(k)
hn
a†
k↑ak↑ − b†
k↑bk↑
o
−
n
a†
k↓ak↓ − b†
k↓bk↓
oi
(25)
Calculating the co-relation function a†
k↑ak↑ , a†
k↓ak↓ , b†
k↑bk↑ and
b†
k↓bk↓ from the Green’s functionsA1(k, ω), B1(k, ω), C1(k, ω), and D1(k, ω),
respectively, we can express the staggered magnetic field ’h’ as
h = −
1
2
gµB
X
~
k
i lim
ǫ→0
Z
dω
eβω + 1
(A1B1(ω + iǫ) − A1B1(ω − iǫ))
−
i lim
ǫ→0
Z
dω
eβω + 1
(C1D1(ω + iǫ) − C1D1(ω − iǫ))
(26)
A1B1(ω) =≪ a†
~
k↑
a~
k↑ ≫ − ≪ b†
~
k↑
b~
k↑ ≫= A1(ω) − B1(ω) (27)
and
C1D1(ω) =≪ a†
~
k↓
a~
k↓ ≫ − ≪ b†
~
k↓
b~
k↓ ≫= C1(ω) − D1(ω) (28)
Solving the above equations we can represent as
A1(ω) − B1(ω) = −
∆ − h
2
2
p
E4
1k − 4V 4
ω′
1
1
eβ α
2 eβω′
1 + 1
−
1
eβ α
2 e−βω′
1 + 1
−ω′
2
1
eβ α
2 eβω′
2 + 1
−
1
eβ α
2 e−βω′
2 + 1
+
∆ + h
2
2
p
E4
2k − 4V 4
ω′
3
1
eβ α
2 eβω′
3 + 1
−
1
eβ α
2 e−βω′
3 + 1
−ω′
4
1
eβ α
2 eβω′
4 + 1
−
1
eβ α
2 e−βω′
4 + 1
(29)
and
9
10. C1(ω) − D1(ω) = [
∆ − h
2
2
p
E4
1k − 4V 4
{ω′′
1 (
1
e−β α
2 eβω′′
1 +1
−
1
e−β α
2 e−βω′′
1 + 1
)
−ω′′
2 (
1
e−β α
2 eβω′′
2 + 1
−
1
e−β α
2 e−βω′′
2 + 1
)}
−
∆ + h
2
2
p
E4
1k − 4V 4
{ω′′
3 (
1
e−β α
2 eβω′′
3 + 1
−
1
e−β α
2 e−βω′′
3 + 1
)
−ω′′
4 (
1
e−β α
2 eβω′′
4 + 1
−
1
e−β α
2 e−βω′′
4 + 1
)}] (30)
where
i lim
ǫ→0
Z
dω
eβω + 1
[A1B1(ω + iǫ) − A1B1(ω − iǫ)] = −
h
F1
−
→
k,T
− F2
−
→
k,T
i
(31)
and
i lim
ǫ→0
Z
dω
eβω + 1
[C1D1(ω + iǫ) − C1D1(ω − iǫ)] =
h
F3
−
→
k,T
− F4
−
→
k,T
i
(32)
The extra term F3 and F4 are obtained due to application of magnetic field in
presence of hybridization. Where
F3
−
→
k,T
=
∆ − h
2
2
p
E4
1k − 4V 4
{ω′′
1(
1
e−β α
2 eβω′′
1 + 1
−
1
e−β α
2 e−βω′′
1 + 1
)
−ω′′
2 (
1
e−β α
2 eβω′′
2 + 1
−
1
e−β α
2 e−βω′′
2 + 1
)}
(33)
and
F4
−
→
k,T
=
∆ + h
2
2
p
E4
2k − 4V 4
{ω′′
3(
1
e−β α
2 eβω′′
3 + 1
−
1
e−β α
2 e−βω′′
3 + 1
)
−ω′′
4 (
1
e−β α
2 eβω′′
4 + 1
−
1
e−β α
2 e−βω′′
4 + 1
)} (34)
Using equations (31) , (32) and (26) in equation (25), we can derive the h(T) as
h(T) = −
N(o)
2
gµB
Z + W
2
− W
2
dǫo(k)
n
−
h
F1(
−
→
k , T) − F2(
−
→
k , T)
i
−
h
F3(
−
→
k , T) − F4(
−
→
k , T)
io
10
11. or
h(T) =
N(o)
2
gµB
Z + W
2
− W
2
dǫo(k)
nh
F1(
−
→
k , T) − F2(
−
→
k , T)
i
+
h
F3(
−
→
k , T) − F4(
−
→
k , T)
io
(35)
Equations (21) and (35) are the final expressions for superconducting order param-
eter (∆) and staggered anti-ferromagnetic order parameter(h). We have made all
the parameters used in the above equation dimensionless by dividing them by 2t.
The band width of the conduction band is taken as W=8t. Thus the dimensionless
parameters are redefined as
∆(T)
2t
= z and
h(T)
2t
= h
ǫ0(k)
2t
= x0, α
2t
= α,
kBT
2t
= θ
Using the dimension-less quantity like phonon frequency ωD
2t
= ω̃D, the conduc-
tion bandwidth W
2t
= W̃, the strength of the hybridization V
2(t)
= Ṽ and the cou-
pling constants N(0)V0 = λ1 (i.e,superconducting coupling constant), N(0)gµB = λ2
(anti-ferromagnetic coupling constant), the equations can be rewritten as
z = −λ1
Z +ω̃D
−ω̃D
dx0(k) [F1(x0, θ) + F2(x0, θ)] (36)
and
h = λ2
Z W̃
2
− W̃
2
dx0 [(F1(x0, θ) − F2(x0, θ)) + (F3(x0, θ) − F4(x0, θ))] (37)
In the above equations (∆) ,h are self consistent equations. Thus in order to study
these quantities with temperature, it is important to have the knowledge about
the nature of the co-existing phase and these two equations have to be solved self-
consistently. In our calculation the localised energy level is assumed to coincide with
the Fermi level i.e. (ǫF = 0) as determined from band structure calculation [5].
3 Results and Discussion
In our calculation, we have obtained two parameters, superconducting gap function
(∆) and the staggered anti-ferromagnetic gap function (h) as given in equation (36)
11
12. and (37) ,which are coupled to each other. These equations are solved numerically
and self-consistently in presence of magnetic field. We have used a standard set of
parameters [5,6,19] ,like superconducting coupling (λ1) = 0.111, anti-ferromagnetic
coupling (λ2) = 0.1598, staggered magnetic field (h =0.001 to 0.005), conduction
band width (ω̃D = 1ev), temperature parameter (θ = 0.001 to 0.005) and hybridiza-
tion strength (V = 0.002 to 0.0015). In an external magnetic field, the presence
of hybridization in the Hamiltonian produces to extra terms (F3 and F4) in the
equation for staggered magnetic field. Fig-1. shows the temperature dependence
of superconducting and anti-ferromagnetic order parameter for different external
magnetic field. Superconducting gap increases with decreasing temperature and has
an almost constant value around ΘN . In presence of external magnetic field the
superconducting gap is suppressed in the pure phase due to intervene of magnetic
moment of impurity preventing the formation of spin up or spin down cooper pairs
referring to as pair breaking . On the other hand superconducting gap is increased
in the coexisting phase in an external magnetic field. When the external magnetic
field is increased steadily from 0.0002(about 0.86T) to 0.0020(about 8.63T), criti-
cal temperature parameter Θc decreases constantly from 0.0044 (equivalent to the
temperature 12.69K ) to Θc = 0.0042 (about 12.12K). The calculated supercon-
ducting gap 2∆0
KBT
increases from 1.46 to 1.62 agrees with the experimental results[9].
This is due to fact that when magnetic field is applied splitting of degenerate band
takes place.Hence electron density of state increases which results in increasing the
probable availability of electron for cooper pairing. Thus superconducting order
parameter increases towards lower temperature range below TN which agrees quite
well with previous result [18]. From the graph it is observed that in presence of
external magnetic field, Neel temperature get reduced from 5.74K to 4.14K whereas
antiferromagnetic gap parameter 2∆0
KBTN
decreases from 4.49 to 4.14. Neel tempera-
ture around 5K, shows good agreement with our earlier calculation and experimental
result [19,22].
In figure-2. we have shown the effect of hybridization on superconducting and
AFM order parameter. Both the order parameters get reduced with increase in hy-
bridization. The hybridization plays an important role on z and h. In presence of
hybridization of localized level with conduction band, the density of state at Fermi
level is reduced thereby reducing Tc and TN . The value of 2∆0
kBTc
increases from 1.46
to 1.62 and that of 2∆0
kBTN
increases from 3.49 to 4.04 with increasing V. Since the
localized level lie at the Fermi level electrons from localized level can be transferred
into Fermi level due to thermal fluctuation. This contribute to cooper pairing in
case of superconducting state and Neel ordering in case of anti ferromagnetic state.
However, towards lower temperature range below Neel temperature, superconduct-
ing order parameter remains unaffected when hybridization is increased. The critical
12
13. temperature and Neel temperature decreases with increase of V. Here we have ob-
served that the effect of hybridization is more drastic on the Neel ordering parameter
as compared to superconducting order parameter in presence of external magnetic
field.
13
14. Figure 1: Sc gap(z) and AFM gap (h) vs. temperature for v=0.002 and various
magnetic field. The superconducting coupling Λ = 0.111, AFM coupling constant
Λ1 = 0.1598, wD = 0.19
14
15. Figure 2: Superconducting gap (z) and AFM (h) at 2 Tesla magnetic field for various
hybridization parameter
4 Conclusion
In this paper we have extended the model proposed by Panda et al [19] to take
into account the effect of external field contribution in presence of hybridization.
Along with other contributions, we have incorporated magnetic field contribution
in the model Hamiltonian [17,18,19] and obtained the expression for order param-
eters. We have derived single particle Green’s function using Zubarev’s technique
[21] and solved the superconducting and antiferromagnetic order parameters self-
consistently with Fermi level at the middle of the conduction band. The variation of
superconducting and anti-ferromagnetic order parameter for different magnetic field
is studied. The results are shown graphically which indicate similar trends as that
of experimental result[22]. It is observed that hybridization reduces the long range
magnetic order as well as Neel temperature but superconducting gap parameter re-
main unaffected in the co-existing phase below TN . We have presented a simple
model, which can account for the effect of external magnetic field on the co-existing
states of superconducting and anti-ferromagnetism of Yttrium Nickel boro carbide
in presence of hybridization. Similar studies for other compounds is being carried
15
16. out.
Acknowledgments
The authors gratefully acknowledge the useful discussions and technical inpute
received from Dr. Prafulla Kumar Panda, Reader in Physics, Utkal University,
Odisha, Prof.R.N.Sahu, Prof.G.S.Tripathi, Berhampur University and Sri Santosh
Kumar Sahu, Brahma Nagar-2nd Lane, Berhampur. The authors also would like to
acknowledge all those who have helped directly or indirectly for completion of this
work. The co-author Mr.P.Ch.Padhi passed away in the final stage of this work. My
special acknowledgment for his dedication, endeavor and commitment in initiating
this piece of research and for his valuable suggestions to give it a final shape.
16
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