call for papers, research paper publishing, where to publish research paper, journal publishing, how to publish research paper, Call For research paper, international journal, publishing a paper, IJEI, call for papers 2012,journal of science and technolog
The document compares the low field electron transport properties in compounds of groups III-V semiconductors by solving the Boltzmann equation using an iterative technique. It calculates the temperature and doping dependencies of electron mobility in InP, InAs, GaP and GaAs. The electron mobility decreases with increasing temperature from 100K to 500K for each material due to increased electron-phonon scattering. Electron mobility also increases significantly with higher doping concentration at low temperatures. The iterative results show good agreement with other calculations and experiments. Electron mobility is highest in InAs and lowest in GaP at 300K, due to differences in their effective masses.
IJERA (International journal of Engineering Research and Applications) is International online, ... peer reviewed journal. For more detail or submit your article, please visit www.ijera.com
Hidden Symmetries and Their Consequences in the Hubbard Model of t2g ElectronsABDERRAHMANE REGGAD
(1) The Hubbard model for t2g electrons in transition metal oxides possesses novel hidden symmetries that have significant consequences.
(2) These symmetries prevent long-range spin order at non-zero temperatures and lead to an extraordinary simplification in exact diagonalization studies.
(3) Even with spin-orbit interactions included, the excitation spectrum remains gapless due to a continuous symmetry arising from the hidden symmetries.
Mean field Green function solution of the two-band Hubbard model in cupratesABDERRAHMANE REGGAD
The document discusses the mean field Green function solution of the two-band Hubbard model for cuprate superconductors. It presents the two-band Hubbard model Hamiltonian and describes the rigorous mean field solution of the Green function matrix for the model. This involves deriving properties under spin reversal and particle number operators to describe correlations from each subband. Charge-spin separation is shown for normal and anomalous hopping processes, with the charge-charge correlation mechanism described for superconducting pairing.
Branislav K. Nikoli
ć
Department of Physics and Astronomy, University of Delaware, U.S.A.
PHYS 624: Introduction to Solid State Physics
http://www.physics.udel.edu/~bnikolic/teaching/phys624/phys624.html
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.
Theoretical picture: magnetic impurities, Zener model, mean-field theoryABDERRAHMANE REGGAD
The document summarizes the theoretical picture of dilute magnetic semiconductors (DMS). It describes the Zener model where magnetic impurities interact with charge carriers via exchange interaction. It then discusses the mean field approximation used to calculate the Curie temperature. For higher doping concentrations, a virtual crystal approximation is used to replace impurity spins with a smooth spin density. The model explains several experimental observations but cannot explain some properties like the shape of magnetization curves. At very low doping, a bound magnetic polaron model applies where carriers hop between localized acceptor levels aligned with impurity spins.
Electrical transport and magnetic interactions in 3d and 5d transition metal ...ABDERRAHMANE REGGAD
The document discusses electrical transport and magnetic interactions in 3d and 5d transition metal oxides. It summarizes that for decades, transition metal oxides have been explored where exotic states like high-Tc superconductivity and colossal magnetoresistance emerge due to cooperative interactions between spin, charge, and orbital degrees of freedom. The document then examines various phenomena in transition metal oxides including Mott insulators, double exchange mechanism, and the Kitaev-Heisenberg model observed in iridate compounds like Na2IrO3 which may realize a spin liquid ground state.
IJERA (International journal of Engineering Research and Applications) is International online, ... peer reviewed journal. For more detail or submit your article, please visit www.ijera.com
Hidden Symmetries and Their Consequences in the Hubbard Model of t2g ElectronsABDERRAHMANE REGGAD
(1) The Hubbard model for t2g electrons in transition metal oxides possesses novel hidden symmetries that have significant consequences.
(2) These symmetries prevent long-range spin order at non-zero temperatures and lead to an extraordinary simplification in exact diagonalization studies.
(3) Even with spin-orbit interactions included, the excitation spectrum remains gapless due to a continuous symmetry arising from the hidden symmetries.
Mean field Green function solution of the two-band Hubbard model in cupratesABDERRAHMANE REGGAD
The document discusses the mean field Green function solution of the two-band Hubbard model for cuprate superconductors. It presents the two-band Hubbard model Hamiltonian and describes the rigorous mean field solution of the Green function matrix for the model. This involves deriving properties under spin reversal and particle number operators to describe correlations from each subband. Charge-spin separation is shown for normal and anomalous hopping processes, with the charge-charge correlation mechanism described for superconducting pairing.
Branislav K. Nikoli
ć
Department of Physics and Astronomy, University of Delaware, U.S.A.
PHYS 624: Introduction to Solid State Physics
http://www.physics.udel.edu/~bnikolic/teaching/phys624/phys624.html
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.
Theoretical picture: magnetic impurities, Zener model, mean-field theoryABDERRAHMANE REGGAD
The document summarizes the theoretical picture of dilute magnetic semiconductors (DMS). It describes the Zener model where magnetic impurities interact with charge carriers via exchange interaction. It then discusses the mean field approximation used to calculate the Curie temperature. For higher doping concentrations, a virtual crystal approximation is used to replace impurity spins with a smooth spin density. The model explains several experimental observations but cannot explain some properties like the shape of magnetization curves. At very low doping, a bound magnetic polaron model applies where carriers hop between localized acceptor levels aligned with impurity spins.
Electrical transport and magnetic interactions in 3d and 5d transition metal ...ABDERRAHMANE REGGAD
The document discusses electrical transport and magnetic interactions in 3d and 5d transition metal oxides. It summarizes that for decades, transition metal oxides have been explored where exotic states like high-Tc superconductivity and colossal magnetoresistance emerge due to cooperative interactions between spin, charge, and orbital degrees of freedom. The document then examines various phenomena in transition metal oxides including Mott insulators, double exchange mechanism, and the Kitaev-Heisenberg model observed in iridate compounds like Na2IrO3 which may realize a spin liquid ground state.
This document describes the tight-binding method for calculating the energy diagram of nanoelectronic systems. It introduces the tight-binding method and its application to calculating the energy diagrams of polyacetylene, single-layer graphene, bilayer graphene, and multi-layer graphene. It also discusses using the tight-binding method to calculate the energy diagrams of two and four layer graphene in a constant electric field and single-layer graphene in a modulated electric field. The document provides the theoretical framework and mathematical equations for applying the tight-binding method to these different nanoscale systems.
My introduction to electron correlation is based on multideterminant methods. I introduce the electron-electron cusp condition, configuration interaction, complete active space self consistent field (CASSCF), and just a little information about perturbation theories. These slides were part of a workshop I organized in 2014 at the University of Pittsburgh and for a guest lecture in a Chemical Engineering course at Pitt.
UCSD NANO 266 Quantum Mechanical Modelling of Materials and Nanostructures is a graduate class that provides students with a highly practical introduction to the application of first principles quantum mechanical simulations to model, understand and predict the properties of materials and nano-structures. The syllabus includes: a brief introduction to quantum mechanics and the Hartree-Fock and density functional theory (DFT) formulations; practical simulation considerations such as convergence, selection of the appropriate functional and parameters; interpretation of the results from simulations, including the limits of accuracy of each method. Several lab sessions provide students with hands-on experience in the conduct of simulations. A key aspect of the course is in the use of programming to facilitate calculations and analysis.
Electronic structure of strongly correlated materials Part II V.AnisimovABDERRAHMANE REGGAD
This document summarizes applications of the LDA+U and LDA+DMFT methods to strongly correlated materials. It discusses how these methods can accurately model Mott insulators, charge order, spin order, orbital order, and other phenomena. Specific examples discussed include charge ordering in Fe3O4, orbital ordering in KCuF3 and LaMnO3, and the spin state of Co3+ in LaCoO3. It also outlines the theoretical foundations and computational schemes of the LDA+U and LDA+DMFT methods, such as how the quantum Monte Carlo method can be used to solve the effective impurity problem in LDA+DMFT.
Anderson localization, wave diffusion and the effect of nonlinearity in disor...ABDERRAHMANE REGGAD
This document discusses Anderson localization in disordered lattices and the effect of nonlinearity. It begins with an introduction to Anderson localization and how disorder can suppress diffusion due to interference effects. It then motivates studying this phenomenon experimentally using disordered waveguide lattices. The document describes measuring localized eigenmodes and observing the transition from diffusion to localization by exciting single sites. It finds that nonlinearity increases localization by affecting eigenmodes differently depending on their eigenvalue and enhancing localization of diffusing waves. In conclusion, the experiment provides direct observation of Anderson localization and characterization of diffusion regimes, revealing that nonlinearity generally increases the localization effects of disorder.
The document discusses room temperature superconductivity and summarizes past research on high temperature superconductivity. It also examines the electronic structure and superconducting properties of NaxCoO2. Specifically:
1) Prior research from the 1970s explored whether high temperature superconductivity was possible.
2) Calculations and experiments on NaxCoO2 suggest it has unusual magnetic and electronic properties, including spin fluctuations that may be important to superconductivity.
3) Studies of the superconducting state in NaxCoO2 indicate it is unconventional and not fully gapped, with triplet f-wave pairing being a leading hypothesis to explain experimental results.
Electronic structure of strongly correlated materials Part III V.AnisimovABDERRAHMANE REGGAD
This document discusses results from DFT+DMFT calculations on various strongly correlated materials. It summarizes calculations showing a strongly correlated metal state in SrVO3 with a lower Hubbard band, a Mott insulator transition in V2O3 accompanied by a small structural change, and heavy fermion behavior in Li2VO4 without f-electrons. It also discusses calculations of the charge transfer insulator NiO, pressure-induced transitions in MnO and Fe2O3, correlated covalent insulators FeSi and FeSb2, superconductivity in LaOFeAs, Jahn-Teller distortions and orbital ordering in KCuF3, and f-electron localization in cerium. The document
The document summarizes the metal-insulator transition in VO2, which occurs at 340K. In the metallic phase, VO2 exhibits bad metal behavior with short electron mean free paths. The insulating phase has two possible structures - M1 and M2. M1 involves pairing of V atoms and splitting of orbitals. M2 involves formation of zig-zag V chains. The transition may involve both Mott-Hubbard localization and a Peierls instability driven by soft phonon modes near the R point of the Brillouin zone. Precise values are estimated for the electronic parameters characterizing the insulating M1 phase, including Hubbard U, spin gap Δσ, and charge gap Δρ.
1. Diluted magnetic semiconductors aim to integrate semiconductor processing and ferromagnetic data storage on a single chip. Magnetic semiconductors are classes of materials that exhibit both semiconducting and magnetic properties.
2. The lecture discusses the theoretical picture of magnetic impurities in semiconductors based on the Zener model and mean-field theory. It also covers disorder, transport properties, and the anomalous Hall effect in diluted magnetic semiconductors.
3. The final sections discuss magnetic properties in the presence of disorder and recent developments, as well as open questions for the future of magnetic semiconductors.
This document discusses using advanced computational methods beyond density functional theory (DFT) to more accurately model electron-phonon coupling (EPC) in graphene. It finds that the GW approximation provides a better description of phonon dispersions and EPC than DFT. Hybrid functionals can also reproduce GW results if the amount of nonlocal exchange is tuned. The EPC is found to decrease with doping as screening becomes stronger. Experimental evidence generally agrees with the computational results.
Performance Analysis of Single Quantum Dots and Couple Quantum Dots at Interm...IOSR Journals
This document analyzes the performance of single quantum dots versus coupled quantum dots in intermediate band solar cells through simulations. It finds that increasing the distance between quantum dots reduces the overlap between their wave functions, decreasing the intermediate bandwidth. A narrower intermediate band is inversely related to cell efficiency. Specifically, simulations show that decreasing the barrier width between quantum dots from 6nm to 2nm while keeping their width at 4nm increases the intermediate bandwidth from a very thin level to 90meV, improving efficiency.
UCSD NANO 266 Quantum Mechanical Modelling of Materials and Nanostructures is a graduate class that provides students with a highly practical introduction to the application of first principles quantum mechanical simulations to model, understand and predict the properties of materials and nano-structures. The syllabus includes: a brief introduction to quantum mechanics and the Hartree-Fock and density functional theory (DFT) formulations; practical simulation considerations such as convergence, selection of the appropriate functional and parameters; interpretation of the results from simulations, including the limits of accuracy of each method. Several lab sessions provide students with hands-on experience in the conduct of simulations. A key aspect of the course is in the use of programming to facilitate calculations and analysis.
The document discusses Mott physics and the metal-insulator transition. It introduces concepts such as Fermi liquids in metals, Mott insulators arising from electron-electron interactions, and the competition between kinetic energy and interaction energy leading to a Mott transition from metal to insulator with increasing interaction strength. It also distinguishes between Slater insulators driven by antiferromagnetism and Mott insulators where insulating behavior does not require magnetic ordering.
- The document discusses strongly interacting atoms in optical lattices and lattice-induced Feshbach resonances.
- It presents exact calculations of two atoms in a 1D lattice and finds avoided crossings between molecular bands and continuum states that depend on the lattice quasimomentum.
- An effective Hamiltonian is constructed that qualitatively captures these effects and introduces a momentum-dependent atom-dimer coupling parameter.
This document provides an overview of strongly correlated electronic systems. It begins with a list of some historical landmarks in the field, including early works developing band theory and models like the Hubbard model. It then contrasts the band structure approach with an atomic physics perspective that considers local electron-electron interactions. The document discusses how transition metal and rare earth compounds exhibit a range of behaviors between itinerant and localized electron limits depending on the relative sizes of the hopping integral and on-site Coulomb interaction. It provides examples of ordered phases that can emerge in correlated systems and how spectral weight is transferred with doping.
This document provides an overview of density functional theory and methods for modeling strongly correlated materials. It discusses the limitations of standard DFT approaches like LDA for strongly correlated systems and introduces model Hamiltonians and correction methods like LDA+U, LDA+DMFT, self-interaction correction, and generalized transition state to better account for electron correlation effects. The document outlines the basic theory and approximations of DFT, including Kohn-Sham equations and the local density approximation, and discusses basis set approaches like plane waves, augmented plane waves, and pseudopotentials.
UCSD NANO 266 Quantum Mechanical Modelling of Materials and Nanostructures is a graduate class that provides students with a highly practical introduction to the application of first principles quantum mechanical simulations to model, understand and predict the properties of materials and nano-structures. The syllabus includes: a brief introduction to quantum mechanics and the Hartree-Fock and density functional theory (DFT) formulations; practical simulation considerations such as convergence, selection of the appropriate functional and parameters; interpretation of the results from simulations, including the limits of accuracy of each method. Several lab sessions provide students with hands-on experience in the conduct of simulations. A key aspect of the course is in the use of programming to facilitate calculations and analysis.
The document summarizes the LDA+U method for treating strongly correlated materials and applies it to two cases - CaFeO3 and La1/2Sr2/3FeO3. LDA+U adds an on-site Coulomb interaction term U to the LDA functional to better describe localized d-orbitals. It shows how LDA+U predicts charge disproportionation and an insulating state in both materials, driven by factors like lattice distortions, correlations, and disorder.
1. This document contains 6 problems related to statistical mechanics and quantum gases. The problems cover topics like the energy states of an ideal quantum gas, properties of white dwarf stars, compressibility of metals, virial expansions, Gibbs free energy differences between normal and superconducting states, and Monte Carlo simulations.
2. The document provides detailed multi-part physics problems and asks the reader to calculate various properties of quantum gases and condensed matter systems using statistical mechanics concepts and equations of state. Hints or guidance are given for some problems.
3. The problems progressively increase in complexity, starting with basic calculations for an ideal quantum gas and ending with Monte Carlo simulation techniques and properties of superconducting phase transitions.
This document summarizes previous research on the deformation of endodontic obturator tips using finite element modeling (FEM). It discusses how FEM has been used to analyze stress distributions and deformation patterns in gutta percha cutter tips when subjected to thermal and mechanical loads. The document reviews literature on using tools like ANSYS to model different tip geometries and materials. It also discusses how FEM can help optimize tip design by predicting failure modes and analyzing stresses under various loading conditions. FEM is presented as an effective tool for analyzing complex dental structures when direct measurement is difficult.
This document discusses implementing trust in cloud computing using public key infrastructure (PKI). It begins by providing background on PKI and how it uses public/private key cryptography to provide security services like authentication, confidentiality, and integrity. It then discusses cloud computing models and the Windows Azure platform. The paper proposes three trust models using PKI: 1) a public root CA and public CA, 2) a public root CA and enterprise CA, and 3) an enterprise root CA and enterprise CA. It details methodologies for implementing each model to establish trust between cloud services and customers. The enterprise root CA model provides the most security and trust but has higher costs and complexity.
This document describes the tight-binding method for calculating the energy diagram of nanoelectronic systems. It introduces the tight-binding method and its application to calculating the energy diagrams of polyacetylene, single-layer graphene, bilayer graphene, and multi-layer graphene. It also discusses using the tight-binding method to calculate the energy diagrams of two and four layer graphene in a constant electric field and single-layer graphene in a modulated electric field. The document provides the theoretical framework and mathematical equations for applying the tight-binding method to these different nanoscale systems.
My introduction to electron correlation is based on multideterminant methods. I introduce the electron-electron cusp condition, configuration interaction, complete active space self consistent field (CASSCF), and just a little information about perturbation theories. These slides were part of a workshop I organized in 2014 at the University of Pittsburgh and for a guest lecture in a Chemical Engineering course at Pitt.
UCSD NANO 266 Quantum Mechanical Modelling of Materials and Nanostructures is a graduate class that provides students with a highly practical introduction to the application of first principles quantum mechanical simulations to model, understand and predict the properties of materials and nano-structures. The syllabus includes: a brief introduction to quantum mechanics and the Hartree-Fock and density functional theory (DFT) formulations; practical simulation considerations such as convergence, selection of the appropriate functional and parameters; interpretation of the results from simulations, including the limits of accuracy of each method. Several lab sessions provide students with hands-on experience in the conduct of simulations. A key aspect of the course is in the use of programming to facilitate calculations and analysis.
Electronic structure of strongly correlated materials Part II V.AnisimovABDERRAHMANE REGGAD
This document summarizes applications of the LDA+U and LDA+DMFT methods to strongly correlated materials. It discusses how these methods can accurately model Mott insulators, charge order, spin order, orbital order, and other phenomena. Specific examples discussed include charge ordering in Fe3O4, orbital ordering in KCuF3 and LaMnO3, and the spin state of Co3+ in LaCoO3. It also outlines the theoretical foundations and computational schemes of the LDA+U and LDA+DMFT methods, such as how the quantum Monte Carlo method can be used to solve the effective impurity problem in LDA+DMFT.
Anderson localization, wave diffusion and the effect of nonlinearity in disor...ABDERRAHMANE REGGAD
This document discusses Anderson localization in disordered lattices and the effect of nonlinearity. It begins with an introduction to Anderson localization and how disorder can suppress diffusion due to interference effects. It then motivates studying this phenomenon experimentally using disordered waveguide lattices. The document describes measuring localized eigenmodes and observing the transition from diffusion to localization by exciting single sites. It finds that nonlinearity increases localization by affecting eigenmodes differently depending on their eigenvalue and enhancing localization of diffusing waves. In conclusion, the experiment provides direct observation of Anderson localization and characterization of diffusion regimes, revealing that nonlinearity generally increases the localization effects of disorder.
The document discusses room temperature superconductivity and summarizes past research on high temperature superconductivity. It also examines the electronic structure and superconducting properties of NaxCoO2. Specifically:
1) Prior research from the 1970s explored whether high temperature superconductivity was possible.
2) Calculations and experiments on NaxCoO2 suggest it has unusual magnetic and electronic properties, including spin fluctuations that may be important to superconductivity.
3) Studies of the superconducting state in NaxCoO2 indicate it is unconventional and not fully gapped, with triplet f-wave pairing being a leading hypothesis to explain experimental results.
Electronic structure of strongly correlated materials Part III V.AnisimovABDERRAHMANE REGGAD
This document discusses results from DFT+DMFT calculations on various strongly correlated materials. It summarizes calculations showing a strongly correlated metal state in SrVO3 with a lower Hubbard band, a Mott insulator transition in V2O3 accompanied by a small structural change, and heavy fermion behavior in Li2VO4 without f-electrons. It also discusses calculations of the charge transfer insulator NiO, pressure-induced transitions in MnO and Fe2O3, correlated covalent insulators FeSi and FeSb2, superconductivity in LaOFeAs, Jahn-Teller distortions and orbital ordering in KCuF3, and f-electron localization in cerium. The document
The document summarizes the metal-insulator transition in VO2, which occurs at 340K. In the metallic phase, VO2 exhibits bad metal behavior with short electron mean free paths. The insulating phase has two possible structures - M1 and M2. M1 involves pairing of V atoms and splitting of orbitals. M2 involves formation of zig-zag V chains. The transition may involve both Mott-Hubbard localization and a Peierls instability driven by soft phonon modes near the R point of the Brillouin zone. Precise values are estimated for the electronic parameters characterizing the insulating M1 phase, including Hubbard U, spin gap Δσ, and charge gap Δρ.
1. Diluted magnetic semiconductors aim to integrate semiconductor processing and ferromagnetic data storage on a single chip. Magnetic semiconductors are classes of materials that exhibit both semiconducting and magnetic properties.
2. The lecture discusses the theoretical picture of magnetic impurities in semiconductors based on the Zener model and mean-field theory. It also covers disorder, transport properties, and the anomalous Hall effect in diluted magnetic semiconductors.
3. The final sections discuss magnetic properties in the presence of disorder and recent developments, as well as open questions for the future of magnetic semiconductors.
This document discusses using advanced computational methods beyond density functional theory (DFT) to more accurately model electron-phonon coupling (EPC) in graphene. It finds that the GW approximation provides a better description of phonon dispersions and EPC than DFT. Hybrid functionals can also reproduce GW results if the amount of nonlocal exchange is tuned. The EPC is found to decrease with doping as screening becomes stronger. Experimental evidence generally agrees with the computational results.
Performance Analysis of Single Quantum Dots and Couple Quantum Dots at Interm...IOSR Journals
This document analyzes the performance of single quantum dots versus coupled quantum dots in intermediate band solar cells through simulations. It finds that increasing the distance between quantum dots reduces the overlap between their wave functions, decreasing the intermediate bandwidth. A narrower intermediate band is inversely related to cell efficiency. Specifically, simulations show that decreasing the barrier width between quantum dots from 6nm to 2nm while keeping their width at 4nm increases the intermediate bandwidth from a very thin level to 90meV, improving efficiency.
UCSD NANO 266 Quantum Mechanical Modelling of Materials and Nanostructures is a graduate class that provides students with a highly practical introduction to the application of first principles quantum mechanical simulations to model, understand and predict the properties of materials and nano-structures. The syllabus includes: a brief introduction to quantum mechanics and the Hartree-Fock and density functional theory (DFT) formulations; practical simulation considerations such as convergence, selection of the appropriate functional and parameters; interpretation of the results from simulations, including the limits of accuracy of each method. Several lab sessions provide students with hands-on experience in the conduct of simulations. A key aspect of the course is in the use of programming to facilitate calculations and analysis.
The document discusses Mott physics and the metal-insulator transition. It introduces concepts such as Fermi liquids in metals, Mott insulators arising from electron-electron interactions, and the competition between kinetic energy and interaction energy leading to a Mott transition from metal to insulator with increasing interaction strength. It also distinguishes between Slater insulators driven by antiferromagnetism and Mott insulators where insulating behavior does not require magnetic ordering.
- The document discusses strongly interacting atoms in optical lattices and lattice-induced Feshbach resonances.
- It presents exact calculations of two atoms in a 1D lattice and finds avoided crossings between molecular bands and continuum states that depend on the lattice quasimomentum.
- An effective Hamiltonian is constructed that qualitatively captures these effects and introduces a momentum-dependent atom-dimer coupling parameter.
This document provides an overview of strongly correlated electronic systems. It begins with a list of some historical landmarks in the field, including early works developing band theory and models like the Hubbard model. It then contrasts the band structure approach with an atomic physics perspective that considers local electron-electron interactions. The document discusses how transition metal and rare earth compounds exhibit a range of behaviors between itinerant and localized electron limits depending on the relative sizes of the hopping integral and on-site Coulomb interaction. It provides examples of ordered phases that can emerge in correlated systems and how spectral weight is transferred with doping.
This document provides an overview of density functional theory and methods for modeling strongly correlated materials. It discusses the limitations of standard DFT approaches like LDA for strongly correlated systems and introduces model Hamiltonians and correction methods like LDA+U, LDA+DMFT, self-interaction correction, and generalized transition state to better account for electron correlation effects. The document outlines the basic theory and approximations of DFT, including Kohn-Sham equations and the local density approximation, and discusses basis set approaches like plane waves, augmented plane waves, and pseudopotentials.
UCSD NANO 266 Quantum Mechanical Modelling of Materials and Nanostructures is a graduate class that provides students with a highly practical introduction to the application of first principles quantum mechanical simulations to model, understand and predict the properties of materials and nano-structures. The syllabus includes: a brief introduction to quantum mechanics and the Hartree-Fock and density functional theory (DFT) formulations; practical simulation considerations such as convergence, selection of the appropriate functional and parameters; interpretation of the results from simulations, including the limits of accuracy of each method. Several lab sessions provide students with hands-on experience in the conduct of simulations. A key aspect of the course is in the use of programming to facilitate calculations and analysis.
The document summarizes the LDA+U method for treating strongly correlated materials and applies it to two cases - CaFeO3 and La1/2Sr2/3FeO3. LDA+U adds an on-site Coulomb interaction term U to the LDA functional to better describe localized d-orbitals. It shows how LDA+U predicts charge disproportionation and an insulating state in both materials, driven by factors like lattice distortions, correlations, and disorder.
1. This document contains 6 problems related to statistical mechanics and quantum gases. The problems cover topics like the energy states of an ideal quantum gas, properties of white dwarf stars, compressibility of metals, virial expansions, Gibbs free energy differences between normal and superconducting states, and Monte Carlo simulations.
2. The document provides detailed multi-part physics problems and asks the reader to calculate various properties of quantum gases and condensed matter systems using statistical mechanics concepts and equations of state. Hints or guidance are given for some problems.
3. The problems progressively increase in complexity, starting with basic calculations for an ideal quantum gas and ending with Monte Carlo simulation techniques and properties of superconducting phase transitions.
This document summarizes previous research on the deformation of endodontic obturator tips using finite element modeling (FEM). It discusses how FEM has been used to analyze stress distributions and deformation patterns in gutta percha cutter tips when subjected to thermal and mechanical loads. The document reviews literature on using tools like ANSYS to model different tip geometries and materials. It also discusses how FEM can help optimize tip design by predicting failure modes and analyzing stresses under various loading conditions. FEM is presented as an effective tool for analyzing complex dental structures when direct measurement is difficult.
This document discusses implementing trust in cloud computing using public key infrastructure (PKI). It begins by providing background on PKI and how it uses public/private key cryptography to provide security services like authentication, confidentiality, and integrity. It then discusses cloud computing models and the Windows Azure platform. The paper proposes three trust models using PKI: 1) a public root CA and public CA, 2) a public root CA and enterprise CA, and 3) an enterprise root CA and enterprise CA. It details methodologies for implementing each model to establish trust between cloud services and customers. The enterprise root CA model provides the most security and trust but has higher costs and complexity.
International Journal of Engineering Research and Development (IJERD)IJERD Editor
This document presents a comparison of PID and fuzzy PID controllers for position control of a DC motor. It first describes the modeling of a DC motor transfer function. It then provides details on designing a PID controller using Ziegler-Nichols tuning methods. A fuzzy PID controller is also designed using triangular membership functions for error and change in error inputs. Simulation results in MATLAB/Simulink show that the fuzzy PID controller provides better tracking of setpoint changes with less overshoot compared to the ZN-tuned PID controller. The fuzzy PID controller therefore demonstrates better performance for position control of DC motors.
This document summarizes a research paper that proposes using a particle swarm optimization (PSO) algorithm to design hybrid active power filters (HAPFs) for 3-phase 4-wire power systems with variable and nonlinear loads. The objectives are to minimize harmonic distortion, reactive power capacity, and costs while satisfying constraints. PSO is applied to find optimal filter parameters and component ratings. Simulation results show PSO designs outperform conventional trial-and-error methods in meeting standards for harmonic mitigation and power factor correction.
This document discusses methods for interpolating rainfall data using modified inverse distance weighting (MIDW) techniques. It examines four general forms of the MIDW method where the effects of distance and elevation difference can take positive or negative weights. The authors apply genetic algorithms to optimize the MIDW interpolation equation regionally and compare integrated vs. separated dimensionless weighting approaches. Daily rainfall data from 49 stations in the Mashhad plain catchment area of Iran over 16 years is analyzed. The results show that accounting for elevation improves interpolation and that regional optimization of the MIDW method leads to better performance than local optimization.
The document summarizes a research paper that proposes a new topology for a DSTATCOM (Distribution Static Compensator) to improve power quality in three-phase four-wire distribution systems. The proposed topology integrates a three-leg voltage source converter with a T-connected transformer. This helps mitigate neutral current and allows the DSTATCOM to compensate for load harmonics, reactive power, and imbalance. The design and control strategy of the DSTATCOM are described. Its performance is validated using MATLAB simulation for applications like power factor correction and voltage regulation along with neutral current compensation and harmonic reduction with nonlinear loads.
This document summarizes a research paper that proposes a fuzzy self-adaptive PID controller for temperature control of an electric heating furnace. It begins with an introduction to electric furnaces and challenges with using conventional PID controllers for nonlinear and time-varying temperature processes. It then describes tuning various PID controller gains using algorithms and comparing responses. Next, it designs a fuzzy logic controller and fuzzy-PID controller for the system using MATLAB/Simulink. Membership functions and fuzzy rules are defined for the fuzzy inference systems. The results show that the proposed fuzzy self-adaptive PID controller provides the best dynamic performance for temperature control of the electric furnace.
This document summarizes a research paper that proposes using the firefly algorithm to solve the NP-hard optimization problem of assigning cells in a cellular network to switches in a way that minimizes total costs. The total cost includes handoff costs for calls between adjacent cells and cabling costs for connecting cells to switches, subject to constraints like switch capacity. It describes modeling the problem mathematically and comparing the firefly algorithm to the particle swarm optimization (PSO) algorithm. The firefly algorithm is shown to solve the cell-to-switch assignment problem faster than existing approaches like PSO.
This document presents a framework for optimizing transportation costs when supplying resources to construction sites. It identifies renewable and non-renewable resources and considers the locations of storage facilities and construction sites. The objective is to minimize total transportation costs by determining optimal quantities to ship from each storage location to each site. A mathematical model is formulated to represent the transportation costs as a function of shipping quantities between sources and sinks, subject to supply and demand constraints. The model aims to develop a tradeoff between transportation costs and transshipment quantities for efficiently supplying resources in construction projects.
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Similar to call for papers, research paper publishing, where to publish research paper, journal publishing, how to publish research paper, Call For research paper, international journal, publishing a paper, IJEI, call for papers 2012,journal of science and technolog
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.
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.
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.
BoltzTraP is a software tool that uses linearized Boltzmann transport theory to calculate electronic transport properties from first-principles band structures. It can calculate properties like electrical conductivity, Seebeck coefficient, and electronic thermal conductivity. The document discusses applications of BoltzTraP to analyze transport properties of metals and thermoelectric materials. Key applications highlighted include analyzing anisotropy, resistivity temperature dependence, and optimizing the electronic structure of materials for high thermoelectric performance.
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1) According to the free electron model, conduction electrons exist in metals that are not bound to individual atoms but are free to move throughout the crystal lattice.
2) The electrons occupy discrete quantum states that can be modeled as plane waves. The lowest energy state is filled first according to the Pauli exclusion principle.
3) Key properties of the free electron gas model include the Fermi energy (EF), Fermi temperature (TF), and Fermi momentum (kF) and sphere, which describe the highest occupied electron state at 0K.
The document discusses the effective mass approximation in quantum mechanics. It begins by defining the effective mass as inversely proportional to the curvature of energy bands. Having a effective mass allows electrons in crystals to be treated similarly to classical particles, with the crystal forces and quantum properties accounted for in the mass. The effective mass can be a tensor and depends on the crystal direction. It then discusses measuring the effective mass using cyclotron resonance and how it varies by crystallographic direction. In general, the effective mass incorporates the quantum mechanical behavior of electrons in crystals to allow a classical particle treatment.
Effect of Poling Field and Non-linearity in Quantum Breathers in FerroelectricsIOSR Journals
Abstract : Lithium tantalate is technologically one of the most important ferroelectric materials with a low poling field that has several applications in the field of photonics and memory switching devices. In a Hamiltonian system, such as dipolar system, the polarization behavior of such ferroelectrics can be well-modeled by Klein-Gordon (K-G) equation. To probe the quantum states related to discrete breathers, the same K-G lattice is quantized to give rise to quantum breathers (QBs) that are explained by a periodic boundary condition. The gap between the localized and delocalized phonon-band is a function of impurity content that is again related to the effect of pinning of domains due to antisite tantalum defects in the system, i.e. a point of easier switching within the limited amount of data on poling field.
Ultracold atoms in superlattices as quantum simulators for a spin ordering mo...Alexander Decker
This document discusses using ultracold fermionic atoms in optical lattices to simulate spin ordering models. It begins by describing how atoms can be trapped in optical lattices using laser light. It then proposes how a spin ordering Hamiltonian could be used to achieve superexchange interaction in a double well system. Finally, it suggests going beyond double wells to study resonating valence bond states in a kagome lattice, which could provide insights into phenomena like high-temperature superconductivity.
Chiral Transverse Electromagnetic Waves with E H i to study Circular Dichroisminventionjournals
It is shown that a general class of transverse electromagnetic waves with E H i can be obtained. These waves possess magnetic helicity and chirality. This condition is important to excitation of nano molecules when it is necessary consider a global factor as the product of the parameter of optical chirality with the inherent enantiometric properties of the material. The absorption of a chiral molecule in a chiral electromagnetic field is proportional to the imaginary part of mixed electric-magnetic dipole polarizability of the molecules, which determines the circular dichroism, CD of molecules. Chiral fields with different handedness can be used to obtain basic information from the interaction fields-molecules with high optical chirality, having chiral hot spots in nodes of stationary waves with parallel components of electric and magnetic fields.
lecture classical and Quantum Free electron theory (FERMI GAS) (23-24).pdfLobnaSharaf
The electron theory of solids explains properties through electronic structure. It applies to metals and nonmetals. The theory developed in three stages:
1. Classical free electron theory treated electrons as free gas particles. It could not explain many properties.
2. Quantum free electron theory incorporated quantum mechanics. Electrons occupy discrete energy levels according to Fermi-Dirac statistics.
3. Band theory views electrons moving in periodic potentials of atom arrays. It explains conductivity, effective mass, and the origin of band gaps.
Solid State Electronics.
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This document provides an overview of electron spin resonance (ESR) spectroscopy. It discusses how ESR works by applying a magnetic field to induce transitions between electron spin energy levels, which are split due to interactions between unpaired electrons and their environment. Specifically, it describes how orbital interactions and nuclear hyperfine interactions affect the ESR spectrum. It also discusses experimental considerations like microwave frequencies, magnetic field strengths, sensitivity, saturation effects, and nuclear hyperfine interactions. The goal is to provide fundamentals of ESR spectroscopy and introduce its capabilities for studying organic and organometallic radicals and complexes.
Transport coefficients of QGP in strong magnetic fieldsDaisuke Satow
1. Transport coefficients of QGP in strong magnetic fields are discussed, including electrical conductivity.
2. Quarks exhibit Landau quantization in strong magnetic fields, with their motion confined to one dimension along the field. Gluons also acquire an effective mass through interactions with quarks.
3. Electrical conductivity is calculated using the linear response theory and Kubo formula. It is found that only the component along the magnetic field is non-zero, in contrast to the isotropic conductivity at weak fields.
6) A beam of light with red and blue components of wavelengths.docxalinainglis
6) A beam of light with red and blue components of wavelengths 670 nm and 425 nm,
respectively, strikes a slab of fused quartz at an incident angle of 30o. On refraction, the
different components are separated by an angle of 0.001312 rad. If the index of
refractions of the red light is 1.4925, what is the index of refraction of the blue light?
Week 5 Assignment
Early Quantum Theory
Please solve the following problems. You must show all work for full/partial credit.
When complete, attach a typed cover sheet and submit to the assignment drop-box.
1) The walls of a blackbody cavity are at a temperature of 27o C. What is the frequency
of the radiation of maximum intensity?
2) Assume that a 100 – W light bulb gives off 2.50% of its energy as visible light. How
many photons of visible light are given off in 1.00 min? (Use an average visible
wavelength of 550 nm)
3) What is the energy of photons (joules) emitted by an 107.5-MHz FM radio station?
4) What is the longest wavelength of light that will emit electrons from a metal whose
work function is 3.50 eV?
5) A metal with a work function of 2.40 eV is illuminated by a beam of monochromatic
light. If the stopping potential is 2.5V, what is the wavelength of the light?
6) What is the de Broglie wavelength of a 1000 kg car moving at a velocity of 25 m/s?
7) A hydrogen atom in its ground state is excited to the n = 5 level. It then makes a
transition directly to the n = 2 level before returning to the ground state.
a) What are the wavelengths of the emitted photons?
b) Would any of the emitted wavelengths be in the visible region?
8) What is the longest wavelength light capable of ionizing a hydrogen atom in the
ground state?
Week 6 Assignment
Quantum Mechanics of Atoms
Please solve the following problems. You must show all work for full/partial credit.
When complete, attach a typed cover sheet and submit to the assignment drop-box.
1) What is the minimum uncertainty in the velocity of an electron that is known to be
somewhere between 0.050 nm and 0.10 nm from a proton?
2) The energy of the first excited state of a hydrogen atom is -0.34 eV ± 0.0003 eV.
What is the average lifetime of for this state?
3) Knowing that a free neutron has a mean life of 900 s and a mass of m = 1.67 x 10-
27kg, what is the uncertainty in its mass in kg?
4) For n = 5, l = 4, what are the possible values of and ml and ms?
5) Draw the ground state energy level diagrams for nitrogen (N) and potassium (K).
6) Calculate the magnitude of the angular momentum of an electron in the n = 7, l= 5
state of hydrogen.
Week 7 Assignment
Nuclear Physics
Please solve the following problems. You must show all work for full/partial credit.
When complete, attach a typed cover sheet and submit to the assignment drop-box.
1) What is the approximate atomic radius of
2) What is the approximate radius of a nucleus?
(b) Approximately what is the value.
Polarization bremsstrahlung on atoms, plasmas, nanostructures and solidsSpringer
This document discusses the quantum electrodynamics approach to describing bremsstrahlung, or braking radiation, of a fast charged particle colliding with an atom. It derives expressions for the amplitude of bremsstrahlung on a one-electron atom within the first Born approximation. The amplitude has static and polarization terms. The static term corresponds to radiation from the incident particle in the nuclear field, reproducing previous results. The polarization term accounts for radiation from the atomic electron and contains resonant denominators corresponding to intermediate atomic states. The full treatment allows various limits to be taken, such as removing the nucleus or atomic electron, reproducing known results from quantum electrodynamics.
Dielectrics are materials that contain permanently aligned electric dipoles. When an electric field is applied, the dipoles in dielectric materials can undergo several types of polarization, including electronic, ionic, orientational, and space charge polarization. This polarization leads to an increase in the electric flux density and dielectric constant within the material. The dielectric constant is the ratio of the material's permeability to the permeability of free space and determines the material's behavior in electric fields.
The document discusses coherence in light sources and its impact on interference patterns observed using a Michelson interferometer. It introduces temporal coherence and coherence time, which describe the stability of the light wave's phase over time. Sources with a narrow spectral width like lasers have high coherence, while broad-spectrum sources have low coherence and do not produce clear interference patterns when the path length difference exceeds the coherence length. The visibility of interference fringes is directly related to the first-order coherence function, which quantifies how the wave's phase correlates over time.
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Apartes de la Conferencia de la SJG del 14 y 21 de Enero de 2012Nonlinear ele...SOCIEDAD JULIO GARAVITO
This document summarizes a research article about nonlinear electrodynamics and its effects on the polarization of the cosmic microwave background radiation. It introduces nonlinear electrodynamics models as alternatives to Maxwell's electrodynamics. The document then discusses how nonlinear electrodynamics is minimally coupled to gravity and derives the relevant equations of motion. It focuses on analyzing the Pagels-Tomboulis nonlinear electrodynamics Lagrangian and computing the polarization angle of photons propagating in an expanding universe with planar symmetry. Constraints on the nonlinear electrodynamics parameter are obtained using data on cosmic magnetic field strengths and the rotation of CMB polarization spectra measured by experiments.
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This document discusses the impact of data mining on business intelligence. It begins by defining business intelligence as using new technologies to quickly respond to changes in the business environment. Data mining is an important part of the business intelligence lifecycle, which includes determining requirements, collecting and analyzing data, generating reports, and measuring performance. Data mining allows businesses to access real-time, accurate data from multiple sources to improve decision making. Using business intelligence and data mining techniques can help businesses become more efficient and make better decisions to increase profits and customer satisfaction. The expected results of applying business intelligence include improved decision making through accurate, timely information to support organizational goals and strategic plans.
This document presents a novel technique for solving the transcendental equations of selective harmonics elimination pulse width modulation (SHEPWM) inverters based on the secant method. The proposed algorithm uses the secant method to simplify the numerical solution of the nonlinear equations and solve them faster compared to other methods. Simulation results validate that the proposed method accurately estimates the switching angles to eliminate specific harmonics from the output voltage waveform and achieves near sinusoidal output current for various modulation indices and numbers of harmonics eliminated.
This document summarizes a research paper that designed and implemented a dual tone multi-frequency (DTMF) based GSM-controlled car security system. The system uses a DTMF decoder and GSM module to allow a car to be remotely controlled and secured from a mobile phone. It works by sending DTMF tones from the phone through calls to the GSM module in the car. The decoder interprets the tones and a microcontroller executes commands to disable the ignition or control other devices. The system was created to improve car security and accessibility through remote monitoring and control with DTMF and GSM technology.
This document presents an algorithm for imperceptibly embedding a DNA-encoded watermark into a color image for authentication purposes. It applies a multi-resolution discrete wavelet transform to decompose the image. The watermark, encoded into DNA nucleotides, is then embedded into the third-level wavelet coefficients through a quantization process. Specifically, the watermark nucleotides are complemented and used to quantize coefficients in the middle frequency band, modifying the coefficients. The watermarked image is reconstructed through inverse wavelet transform. Extraction reverses these steps to recover the watermark without the original image. The algorithm aims to balance imperceptibility and robustness through this wavelet-based, blind watermarking scheme.
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- Wind towers circulate air through tall shafts to cool air entering buildings at night and provide downward airflow of cooled air during the day.
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call for papers, research paper publishing, where to publish research paper, journal publishing, how to publish research paper, Call For research paper, international journal, publishing a paper, IJEI, call for papers 2012,journal of science and technolog
1. International Journal of Engineering Inventions
ISSN: 2278-7461, www.ijeijournal.com
Volume 1, Issue 2 (September 2012) PP: 56-61
Comparison of Low Field Electron Transport Properties in
Compounds of groups III-V Semiconductors by Solving
Boltzmann Equation Using Iteration Model
H. Arabshahi1, A. Pashaei2 and M. H .Tayarani3
1
Physics Department, Payame Noor University, P. O. Box 19395-4697, Tehran, Iran
23
Physics Department, Higher Education Khayyam, Mashhad, Iran
Abstract––Temperature and doping dependencies of electron mobility in InP, InAs,GaP and GaAs structures have been
calculated using an iterative technique. The following scattering mechanisms, i.e, impurity, polar optical phonon,
acoustic phonon and piezoelectric are included in the calculation. The electron mobility decreases monotonically as the
temperature increase from 100 K to 500 K for each material which is depended to their band structures characteristics.
The low temperature value of electron mobility increases significantly with increasing doping concentration. The
iterative results are in fair agreement with other recent calculations obtained using the relaxation-time approximation
and experimental methods.
Keywords–– Iterative technique; Ionized impurity scattering; Born approximation; electron mobility
I. INTRODUCTION
The problems of electron transport properties in semiconductors have been extensively investigated both
theoretically and experimentally for many years. Many numerical methods available in the literature (Monte Carlo method,
Iterative method, variation method, Relaxation time approximation, or Mattiessen's rule) have lead to approximate solutions
to the Boltzmann transport equation [1-2]. In this paper iterative method is used to calculate the electron mobility of InAs,
GaAs, InP and Gap. Because of high mobility InP has become an attractive material for electronic devices of superior
performance among the IIIphosphates semiconductors.Therefore study of the electron transport in group IIIphosphates is
necessary. GaP possesses an indirect band gap of 0.6 eV at room temperature whereas InP have a direct band gap about 1.8
eV, respectively. InP and InAs offer the prospect of mobility comparable to GaAs and are increasingly being developed for
the construction of optical switches and optoelectronic devices.
The low-field electron mobility is one of the most important parameters that determine the performance of a field-
effect transistor. The purpose of the present paper is to calculate electron mobility for various temperatures and ionized-
impurity concentrations. The formulation itself applies only to the central valley conduction band. We have also consider
band nonparabolicity and the screening effects of free carriers on the scattering probabilities. All the relevant scattering
mechanisms, including polar optic phonons, deformation potential, piezoelectric, acoustic phonons, and ionized impurity
scattering. The Boltzmann equation is solved iteratively for our purpose, jointly incorporating the effects of all the scattering
mechanisms [3-4].This paper is organized as follows. Details of the iteration model , the electron scattering mechanism
which have been used and the electron mobility calculations are presented in section II and the results of iterative
calculations carried out on Inp,InAs,GaP,GaAs structures are interpreted in section III.
II. MODEL DETAIL
To calculate mobility, we have to solve the Boltzmann equation to get the modified probability distribution
function under the action of a steady electric field. Here we have adopted the iterative technique for solving the Boltzmann
transport equation. Under the action of a steady field, the Boltzmann equation for the distribution function can be written as
f eF f
v. r f . k f ( ) coll (1)
t t
Where (f / t ) coll represents the change of distribution function due to the electron scattering. In the steady-state and
under application of a uniform electric field the Boltzmann equation can be written as
eF f
. k f ( ) coll (2)
t
Consider electrons in an isotropic, non-parabolic conduction band whose equilibrium Fermi distribution function is f0(k) in
the absence of electric field. Note the equilibrium distribution f0(k) is isotropic in k space but is perturbed when an electric
field is applied. If the electric field is small, we can treat the change from the equilibrium distribution function as a
56
2. Comparison of Low Field Electron Transport Properties in Compounds of groups…
perturbation which is first order in the electric field. The distribution in the presence of a sufficiently small field can be
written quite generally as
f (k ) f 0 (k ) f1 (k ) cos (3)
Where θ is the angle between k and F and f1(k) is an isotropic function of k, which is proportional to the magnitude of the
electric field. f(k) satisfies the Boltzmann equation 2 and it follows that:
eF f0
t i
1 i
0 i 0
3
cos f S (1 f ) S f d k f S (1 f ) S f d k
1 i
0
i 0
3
(4)
In general there will be both elastic and inelastic scattering processes. For example impurity scattering is elastic and
acoustic and piezoelectric scattering are elastic to a good approximation at room temperature. However, polar and non-
polar optical phonon scattering are inelastic. Labeling the elastic and inelastic scattering rates with subscripts el and inel
respectively and recognizing that, for any process i, seli(k’, k) = seli(k, k’) equation 4 can be written as
eF f 0
f1cos [ Sinel (1 f 0 ) Sinel f 0 ] d 3k
f1 (k ) k (5)
(1 cos )Sel d 3k [Sinel (1 f0 ) Sinel f0] d 3k
Note the first term in the denominator is simply the momentum relaxation rate for elastic scattering. Equation 5 may be
solved iteratively by the relation
eF f 0
f1cos [n 1][Sinel (1 f 0 ) Sinel f 0 ] d 3k
f1n (k ) k (6)
(1 cos )Sel d 3k [Sinel (1 f0 ) Sinel f0] d 3k
Where f 1n (k) is the perturbation to the distribution function after the n-th iteration. It is interesting to note that if the initial
distribution is chosen to be the equilibrium distribution, for which f 1 (k) is equal to zero, we get the relaxation time
approximation result after the first iteration. We have found that convergence can normally be achieved after only a few
iterations for small electric fields. Once f 1 (k) has been evaluated to the required accuracy, it is possible to calculate
quantities such as the drift mobility which is given in terms of spherical coordinates by
(k / 1 2 F ) f1 d 3 k
3
* 0
(7)
3m F
k
2 3
f0d k
0
Here, we have calculated low field drift mobility in III-V structures using the iterative technique. In the following
sections electron-phonon and electron-impurity scattering mechanisms will be discussed.
Deformation potential scattering
The acoustic modes modulate the inter atomic spacing. Consequently, the position of the conduction and valence
band edges and the energy band gap will vary with position because of the sensitivity of the band structure to the lattice
spacing. The energy change of a band edge due to this mechanism is defined by a deformation potential and the resultant
scattering of carriers is called deformation potential scattering. The energy range involved in the case of scattering by
acoustic phonons is from zero to 2vk , where v is the velocity of sound, since momentum conservation restricts the
change of phonon wave vector to between zero and 2k, where k is the electron wave vector. Typically, the average value of k
is of the order of 107 cm-1 and the velocity of sound in the medium is of the order of 10 5 cms-1. Hence, 2vk ~ 1 meV,
which is small compared to the thermal energy at room temperature. Therefore, the deformation potential scattering by
acoustic modes can be considered as an elastic process except at very low temperature. The deformation potential scattering
rate with either phonon emission or absorption for an electron of energy E in a non-parabolic band is given by Fermi's
golden rule as [3,5]
2 D 2 ac (mt ml )1/ 2 K BT E (1 E )
*2 *
Rde
v 2 4 E (1 2E ) (8)
(1 E ) 2
1 / 3(E ) 2
Where Dac is the acoustic deformation potential, is the material density and is the non-parabolicity coefficient. The
formula clearly shows that the acoustic scattering increases with temperature
Piezoelectric scattering
The second type of electron scattering by acoustic modes occurs when the displacements of the atoms create an
electric field through the piezoelectric effect. The piezoelectric scattering rate for an electron of energy E in an isotropic,
parabolic band has been discussed by Ridley [4] .
57
3. Comparison of Low Field Electron Transport Properties in Compounds of groups…
The expression for the scattering rate of an electron in a non-parabolic band structure retaining only the important terms can
be written as [3,5]:
2
e 2 K B TK av m*
R PZ (k ) 1 2 1 2
2 2 s 2
2
1 3 ( )
2 1 (9)
Where s is the relative dielectric constant of the material and Kav is the dimensionless so called average
electromechanical coupling constant.
Polar optical phonon scattering
The dipolar electric field arising from the opposite displacement of the negatively and positively charged atoms
provides a coupling between the electrons and the lattice which results in electron scattering. This type of scattering is called
polar optical phonon scattering and at room temperature is generally the most important scattering mechanism for electrons
in III-V .The scattering rate due to this process for an electron of energy E in an isotropic, non-parabolic band is [3-5]
e2 2m* 1 1 1 2E
RPO k PO
8 E (10)
FPO E , EN op , N op 1
Where E = E'±_wpo is the final state energy phonon absorption (upper case) and emission (lower case) and Nop is
the phonon occupation number and the upper and lower cases refer to absorption and emission, respectively. For small
electric fields, the phonon population will be very close to equilibrium so that the average number of phonons is given by the
Bose- Einstein distribution.
Impurity scattering
This scattering process arises as a result of the presence of impurities in a semiconductor. The substitution of an
impurity atom on a lattice site will perturb the periodic crystal potential and result in scattering of an electron. Since the mass
of the impurity greatly exceeds that of an electron and the impurity is bonded to neighboring atoms, this scattering is very
close to being elastic. Ionized impurity scattering is dominant at low temperatures because, as the thermal velocity of the
electrons decreases, the effect of long-range Coulombic interactions on their motion is increased. The electron scattering by
ionized impurity centers has been discussed by Brooks Herring [6] who included the modification of the Coulomb potential
due to free carrier screening. The screened Coulomb potential is written as
e2 exp(q0r ) (11)
V (r )
4 0 s r
Where s is the relative dielectric constant of the material and q0 is the inverse screening length, which under no
degenerate conditions is given by
ne2 (12)
q0
2
0 s K BT
Where n is the electron density. The scattering rate for an isotropic, nonparabolic band structure is given by [3,5]
Ni e4 (1 2E ) b (13)
Rim Ln(1 b)
3/ 2 1 b
32 2m s ( ( E ))
* 2
8 m* ( E ) (14)
b
2q0
2
Where Ni is the impurity concentration.
III. RESULTS
We have performed a series of low-field electron mobility calculations for GaP, InP, GaAs and InAs materials.
Low-field motilities have been derived using iteration methode.The electron mobility is a function of temperature and
electron concentration .
Figures 1 show the comparison the electron mobility depends on the Temperature at the different electron
concentration in bulk Gap,GaAs,InP and InAs materials. figures 1 show that electrons mobility at the definite temperature
300 k for the InAs semiconductors is gained about 8117cm2v-1s-1 and for GaAs, InP, Gap about 4883,4702,760 cm2v-1s-
1.also electrons mobility decrease quickly by temperature increasing from 200k to 500 k for all the different electron
concentrations because temperature increasing causes increase of phonons energy too. So it causes a strong interaction
58
4. Comparison of Low Field Electron Transport Properties in Compounds of groups…
between electrons and these phonons that its result is increase of electrons scattering rate and finally decrease of electrons
mobility. Our calculation results show that the electron mobility InAs is more than 3other materials this increasing is because
of small effective mass.
20000
16 -3
Donor electron density=10 ( cm )
InAs
Electron drift mobility (cm2 / V-s) 15000
10000
GaAs
5000 InP
GaP
0
200 250 300 350 400 450 500
Temperature (K)
Fig 1. Changes the electron mobility Function in terms of temperature in bulk InAs, GaAs, InP and GaP at the
electron concentration 1016 (cm-3).
Figure 2 shows comparison the electron mobility of InAs, GaAs, InP and GaP at the different Temperature .Our
calculation results show that the electron mobility InAs is more than GaAs,InP and GaP
10000
Temperature= 300 K
8000
Electron drift mobility (cm / V-s)
2
InAs
6000
4000 GaAs
InP
2000
GaP
5.00E+017 1.00E+018
-3
Donor electron density ( cm )
Fig 2. Changes the electron mobility Function in terms of room temperature in bulk InAs, GaAs, InP and GaP at the
different electron concentration.
Figures 3 shows comparison the electron mobility depends on the electron concentration at the different
Temperature in bulk GaP and InP materials. Semiconductors mobility decrease by electrons concentrations increasing
because electrons increasing causes increase of ionized impurity centers in crystals that it causes times more electrons under
the influence of the Coulomb potential of impurity centers located that its result is increase of electrons scattering rate and
finally decrease of electrons mobility
59
5. Comparison of Low Field Electron Transport Properties in Compounds of groups…
GaP:T=200 K
4000 GaP:T=300 K
InP:T=200 K
InP:T=300 K
Electron drift mobility (cm / V-s)
3000
2
2000
1000
5.00E+017 1.00E+018
Temperature (K)
Fig 3. Changes the electron mobility Function in terms of electron concentration in bulk InP and GaP at the different
Temperature
20000
16 -3
InAs:Ionized impurity densiy =10 [cm ]
17 -3
InAs:Ionized impurity densiy =10 [cm ]
16 -3
GaAs:Ionized impurity densiy =10 [cm ]
17 -3
GaAs:Ionized impurity densiy =10 [cm ]
Electron drift mobility (cm / V-s)
15000
2
10000
5000
200 250 300 350 400
Temperature (K)
Fig 4. Changes the electron mobility Function in terms of temperature in bulk GaAs and InAs at the different electron
concentration.
Figures 4 shows comparison the electron mobility depends on temperature at the different electron concentration in bulk
InAs and GaAs materials. .Our calculation results show that the electron mobility InAs is more than GaAS
IV. CONCLUSION
1. InAs semiconductor having high mobility of GaAs,GaP and InP because the effective mass is small compared
with all of them
2. The ionized impurity scattering in all the semiconductor InAs,GaAs,InP and GaP at all temperatures is an
important factor in reducing the mobility.
60
6. Comparison of Low Field Electron Transport Properties in Compounds of groups…
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