Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+in Cd2(NH4)2(SO4)3 Single Crystals at Low Magnetic Field Direction (M=-3/2) at Different Temperatures
This document describes a study that performed computer simulations of EPR spectra of Cu2+ in Cd2(NH4)2(SO4)3 single crystals at different temperatures. The simulations were done for the low magnetic field direction (M=-3/2) using an integrated Lorentzian line shape function involving three variables. The normalized intensity was found to decrease with increasing temperature, showing a phase transition around 195 K. The activation energy was also found to vary with temperature in a similar pattern as the intensity. The resonance field and linewidths were found to depend on temperature as sums of polynomials and exponential terms.
POWDER X-RAY DIFFRACTION AND THERMAL STUDIES OF SOME METAL COMPLEXES DERIVED ...chemsurya
Powder X-ray diffraction and thermogravimetric studies of metal(II) complexes derived from 3-(2-
hydroxybenzylideneamino)-5-bromobenzofuran-2-carboxamide Schiff base has been carried out in the current investigation. With the continuation of our previous research here, we report important structural information, geometry, and thermal stability of the synthesized compounds. The trend of the recorded data gives precise information about the crystallinity of the metal complexes.
We at 'Apex Institute' are committed to provide our students best quality education with ethics. Moving in this direction, we have decided that unlike other expensive and 5star facility type institutes who are huge investors and advertisers, we shall not invest huge amount of money in advertisements. It shall rather be invested on the betterment, enhancement of quality and resources at our center.
We are just looking forward to have 'word-of-mouth' publicity instead. Because, there is only a satisfied student and his/her parents can judge an institute's quality and it's faculty members coaching.
Those coaching institutes, who are investing highly on advertisements, are actually, wasting their money on it, in a sense. Rather, the money should be invested on highly experienced faculty members and on teaching gears.
We all at 'Apex' are taking this initiative to improve the quality of education along-with each student's development and growth.
Committed to excellence...
With best wishes.
S . Iqbal
( Motivator & Mentor)
POWDER X-RAY DIFFRACTION AND THERMAL STUDIES OF SOME METAL COMPLEXES DERIVED ...chemsurya
Powder X-ray diffraction and thermogravimetric studies of metal(II) complexes derived from 3-(2-
hydroxybenzylideneamino)-5-bromobenzofuran-2-carboxamide Schiff base has been carried out in the current investigation. With the continuation of our previous research here, we report important structural information, geometry, and thermal stability of the synthesized compounds. The trend of the recorded data gives precise information about the crystallinity of the metal complexes.
We at 'Apex Institute' are committed to provide our students best quality education with ethics. Moving in this direction, we have decided that unlike other expensive and 5star facility type institutes who are huge investors and advertisers, we shall not invest huge amount of money in advertisements. It shall rather be invested on the betterment, enhancement of quality and resources at our center.
We are just looking forward to have 'word-of-mouth' publicity instead. Because, there is only a satisfied student and his/her parents can judge an institute's quality and it's faculty members coaching.
Those coaching institutes, who are investing highly on advertisements, are actually, wasting their money on it, in a sense. Rather, the money should be invested on highly experienced faculty members and on teaching gears.
We all at 'Apex' are taking this initiative to improve the quality of education along-with each student's development and growth.
Committed to excellence...
With best wishes.
S . Iqbal
( Motivator & Mentor)
DFT vibrationally averaged isotopic dipole moments of propane, propyne and wa...Antônio Arapiraca
Post Born–Oppenheimer isotopic effects and zero-point vibrational averages were previously inbodied in calculations of the dipole moments of isotopic species of some apolar molecules within the HF-SCF approximation (Arapiraca, 2011) [27]. Many other molecules, however, demand the inclusion of electronic correlation for this goal. Here, DFT calculations are reported for the isotopic effects on dipole moments of molecules with increasing permanent dipole moments, namely propane ( 0.1 debye), propyne (0.7 debye) and water (1.9 debye). The results account well for the experimental values and isotopic trends of the dipole moments of these molecules. 2014 Elsevier
Dear Students/Parents
We at 'Apex Institute' are committed to provide our students best quality education with ethics. Moving in this direction, we have decided that unlike other expensive and 5star facility type institutes who are huge investors and advertisers, we shall not invest huge amount of money in advertisements. It shall rather be invested on the betterment, enhancement of quality and resources at our center.
We are just looking forward to have 'word-of-mouth' publicity instead. Because, there is only a satisfied student and his/her parents can judge an institute's quality and it's faculty members coaching.
Those coaching institutes, who are investing highly on advertisements, are actually, wasting their money on it, in a sense. Rather, the money should be invested on highly experienced faculty members and on teaching gears.
We all at 'Apex' are taking this initiative to improve the quality of education along-with each student's development and growth.
Committed to excellence...
With best wishes.
S . Iqbal
( Motivator & Mentor)
Studying and Comparing Sensing Capability of Single Walled Carbon Nanotubes f...IJERA Editor
In this study sensing capability of single walled carbon nanotubes (SWCNTs), of both zigzag (5, 0) and
armchair (4, 4) models were investigated for adsorption of O2 and N2 molecules were investigated using density
functional theory (DFT) method. Using this computational method, it is possible to obtain much more data to
apply in medical science and industrial technologies. Geometrical optimization have carried out using standard
set and B3LYP/6-311G* basis set of Gaussian 98 program. Those parts of SWCNT which have demonstrated
more contribution in adsorption energy, ΔEads (eV) were studied and compared. Electronic configurations were
discussed and the results were interpreted
Dear Students/Parents
We at 'Apex Institute' are committed to provide our students best quality education with ethics. Moving in this direction, we have decided that unlike other expensive and 5star facility type institutes who are huge investors and advertisers, we shall not invest huge amount of money in advertisements. It shall rather be invested on the betterment, enhancement of quality and resources at our center.
We are just looking forward to have 'word-of-mouth' publicity instead. Because, there is only a satisfied student and his/her parents can judge an institute's quality and it's faculty members coaching.
Those coaching institutes, who are investing highly on advertisements, are actually, wasting their money on it, in a sense. Rather, the money should be invested on highly experienced faculty members and on teaching gears.
We all at 'Apex' are taking this initiative to improve the quality of education along-with each student's development and growth.
Committed to excellence...
With best wishes.
S . Iqbal
( Motivator & Mentor)
Dear Students/Parents
We at 'Apex Institute' are committed to provide our students best quality education with ethics. Moving in this direction, we have decided that unlike other expensive and 5star facility type institutes who are huge investors and advertisers, we shall not invest huge amount of money in advertisements. It shall rather be invested on the betterment, enhancement of quality and resources at our center.
We are just looking forward to have 'word-of-mouth' publicity instead. Because, there is only a satisfied student and his/her parents can judge an institute's quality and it's faculty members coaching.
Those coaching institutes, who are investing highly on advertisements, are actually, wasting their money on it, in a sense. Rather, the money should be invested on highly experienced faculty members and on teaching gears.
We all at 'Apex' are taking this initiative to improve the quality of education along-with each student's development and growth.
Committed to excellence...
With best wishes.
S . Iqbal
( Motivator & Mentor)
Synthesis and characterization of some Chromium(III) complexes of dibasic tri...IJERA Editor
Coordination complexes of Cr(III)with four tridentate Schiff base ligands viz. N-(2-hydroxy-1-naphthaldehyde)- -(4-nitrobenzoyl)hydrazone(HNNH = H2L 1 ), N-(2-hydroxy-4-methoxybenzaldehyde)- -(2-furoyl) hydrazone (HMFH = H2L 2 ), N-(2-hydroxyacetophenone)- -(2-theonyl) hydrazone (HATH = H2L 3 ) and N-(2- hydroxy-5-methylacetophenone)- -(3-toloyl) hydrazone (HMAT = H2L 4 ) have been synthesized and characterized by elemental analysis, magnetic susceptibility, molar conductance, thermogravimetric analysis and spectral (IR, electronic, NMR) measurements. IR spectra indicates that the ligand behave as dibasic tridentate ligand in a chelate coordinating to Cr(III) ion through ketonic oxygen, azomethine nitrogen and by both enolic and phenolic protons (except in H2L 1 by naphtholic oxygen atom) via double deprotonation of ligands. The magnetic and spectral data indicate chelate in octahedral environment and analytical data suggest 1:1 stoichiometries for the complexes
Kinetic Analysis of TL Spectrum of ϒ-IrradiatedSrAl2O4:Eu2+, Dy3+ NanophosphorIJLT EMAS
Thermoluminescence is a simple technique for studying
the distribution of artificially created or naturally occurring
point defects. In present work we are reanalyzing the
Thermoluminescence response of Eu2+,Dy3+ doped SrAl2O4
nanophosphor at different irradiation dose of ϒ-rays, in
accordance with new method of analysis. Orders of kinetics for
different glow curves are recalculated. Order of kinetics values
are not same as already reported in literature. As per new model
order of kinetics depends on extent of retrapping and from
reanalysis we can infer that all the reported TL responses of
material under consideration are retrapping dominant process.
Natural Convection and Entropy Generation in Γ-Shaped Enclosure Using Lattice...A Behzadmehr
This work presents a numerical analysis of entropy generation in Γ-Shaped enclosure that was submitted to the natural convection process using a simple thermal lattice Boltzmann method (TLBM) with the Boussinesq approximation. A 2D thermal lattice Boltzmann method with 9 velocities, D2Q9, is used to solve the thermal flow problem. The simulations are performed at a constant Prandtl number (Pr = 0.71) and Rayleigh numbers ranging from 103 to 106 at the macroscopic scale (Kn = 10-4). In every case, an appropriate value of the characteristic velocity is chosen using a simple model based on the kinetic theory. By considering the obtained dimensionless velocity and temperature values, the distributions of entropy generation due to heat transfer and fluid friction are determined. It is found that for an enclosure with high value of Rayleigh number (i.e., Ra=105), the total entropy generation due to fluid friction and total Nu number increases with decreasing the aspect ratio.
The FTIR and FT Raman spectra of 1-4-Dichloro-2-NitroBenzene (14DC2NB) have been recorded in the region 4000-400 cm-1 and 3500-50 cm-1 respectively. The optimized geometry ,frequency and intensity of the vibrational bands of 1-4-Dichloro-2-NitroBenzene (14DC2NB) was obtained by the Density functional theory (DFT)using the basis set 6-31g(d,p). The harmonic vibrational frequencies were calculated and scaled values have been compared with experimental FT-IR and FT-Raman spectra. The Calculated and Observed frequencies are found to be in good agreement. UV-Visible spectrum of the compound was recorded, the electronic properties and HOMO - LUMO energies were calculated by Time Dependent DFT (TD-DFT) approach. A detailed interpretation of the infrared and Raman spectra were also reported based on Potential Energy Distribution (PED). The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of 14DC2NB were calculated using the GIAO approach by applying B3LYP method. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The Chemical reactivity and Thermodynamic properties of 14DC2NB at different temperatures were also calculated
International Journal of Engineering Research and Development (IJERD)IJERD Editor
journal publishing, how to publish research paper, Call For research paper, international journal, publishing a paper, IJERD, journal of science and technology, how to get a research paper published, publishing a paper, publishing of journal, publishing of research paper, reserach and review articles, IJERD Journal, How to publish your research paper, publish research paper, open access engineering journal, Engineering journal, Mathemetics journal, Physics journal, Chemistry journal, Computer Engineering, Computer Science journal, how to submit your paper, peer reviw journal, indexed journal, reserach and review articles, engineering journal, www.ijerd.com, research journals,
yahoo journals, bing journals, International Journal of Engineering Research and Development, google journals, hard copy of journal
Classical mechanics analysis of the atomic wave and particulate formstheijes
The International Journal of Engineering & Science is aimed at providing a platform for researchers, engineers, scientists, or educators to publish their original research results, to exchange new ideas, to disseminate information in innovative designs, engineering experiences and technological skills. It is also the Journal's objective to promote engineering and technology education. All papers submitted to the Journal will be blind peer-reviewed. Only original articles will be published.
The International Journal of Engineering & Science is aimed at providing a platform for researchers, engineers, scientists, or educators to publish their original research results, to exchange new ideas, to disseminate information in innovative designs, engineering experiences and technological skills. It is also the Journal's objective to promote engineering and technology education. All papers submitted to the Journal will be blind peer-reviewed. Only original articles will be published.
The papers for publication in The International Journal of Engineering& Science are selected through rigorous peer reviews to ensure originality, timeliness, relevance, and readability.
Theoretical work submitted to the Journal should be original in its motivation or modeling structure. Empirical analysis should be based on a theoretical framework and should be capable of replication. It is expected that all materials required for replication (including computer programs and data sets) should be available upon request to the authors.
DFT vibrationally averaged isotopic dipole moments of propane, propyne and wa...Antônio Arapiraca
Post Born–Oppenheimer isotopic effects and zero-point vibrational averages were previously inbodied in calculations of the dipole moments of isotopic species of some apolar molecules within the HF-SCF approximation (Arapiraca, 2011) [27]. Many other molecules, however, demand the inclusion of electronic correlation for this goal. Here, DFT calculations are reported for the isotopic effects on dipole moments of molecules with increasing permanent dipole moments, namely propane ( 0.1 debye), propyne (0.7 debye) and water (1.9 debye). The results account well for the experimental values and isotopic trends of the dipole moments of these molecules. 2014 Elsevier
Dear Students/Parents
We at 'Apex Institute' are committed to provide our students best quality education with ethics. Moving in this direction, we have decided that unlike other expensive and 5star facility type institutes who are huge investors and advertisers, we shall not invest huge amount of money in advertisements. It shall rather be invested on the betterment, enhancement of quality and resources at our center.
We are just looking forward to have 'word-of-mouth' publicity instead. Because, there is only a satisfied student and his/her parents can judge an institute's quality and it's faculty members coaching.
Those coaching institutes, who are investing highly on advertisements, are actually, wasting their money on it, in a sense. Rather, the money should be invested on highly experienced faculty members and on teaching gears.
We all at 'Apex' are taking this initiative to improve the quality of education along-with each student's development and growth.
Committed to excellence...
With best wishes.
S . Iqbal
( Motivator & Mentor)
Studying and Comparing Sensing Capability of Single Walled Carbon Nanotubes f...IJERA Editor
In this study sensing capability of single walled carbon nanotubes (SWCNTs), of both zigzag (5, 0) and
armchair (4, 4) models were investigated for adsorption of O2 and N2 molecules were investigated using density
functional theory (DFT) method. Using this computational method, it is possible to obtain much more data to
apply in medical science and industrial technologies. Geometrical optimization have carried out using standard
set and B3LYP/6-311G* basis set of Gaussian 98 program. Those parts of SWCNT which have demonstrated
more contribution in adsorption energy, ΔEads (eV) were studied and compared. Electronic configurations were
discussed and the results were interpreted
Dear Students/Parents
We at 'Apex Institute' are committed to provide our students best quality education with ethics. Moving in this direction, we have decided that unlike other expensive and 5star facility type institutes who are huge investors and advertisers, we shall not invest huge amount of money in advertisements. It shall rather be invested on the betterment, enhancement of quality and resources at our center.
We are just looking forward to have 'word-of-mouth' publicity instead. Because, there is only a satisfied student and his/her parents can judge an institute's quality and it's faculty members coaching.
Those coaching institutes, who are investing highly on advertisements, are actually, wasting their money on it, in a sense. Rather, the money should be invested on highly experienced faculty members and on teaching gears.
We all at 'Apex' are taking this initiative to improve the quality of education along-with each student's development and growth.
Committed to excellence...
With best wishes.
S . Iqbal
( Motivator & Mentor)
Dear Students/Parents
We at 'Apex Institute' are committed to provide our students best quality education with ethics. Moving in this direction, we have decided that unlike other expensive and 5star facility type institutes who are huge investors and advertisers, we shall not invest huge amount of money in advertisements. It shall rather be invested on the betterment, enhancement of quality and resources at our center.
We are just looking forward to have 'word-of-mouth' publicity instead. Because, there is only a satisfied student and his/her parents can judge an institute's quality and it's faculty members coaching.
Those coaching institutes, who are investing highly on advertisements, are actually, wasting their money on it, in a sense. Rather, the money should be invested on highly experienced faculty members and on teaching gears.
We all at 'Apex' are taking this initiative to improve the quality of education along-with each student's development and growth.
Committed to excellence...
With best wishes.
S . Iqbal
( Motivator & Mentor)
Synthesis and characterization of some Chromium(III) complexes of dibasic tri...IJERA Editor
Coordination complexes of Cr(III)with four tridentate Schiff base ligands viz. N-(2-hydroxy-1-naphthaldehyde)- -(4-nitrobenzoyl)hydrazone(HNNH = H2L 1 ), N-(2-hydroxy-4-methoxybenzaldehyde)- -(2-furoyl) hydrazone (HMFH = H2L 2 ), N-(2-hydroxyacetophenone)- -(2-theonyl) hydrazone (HATH = H2L 3 ) and N-(2- hydroxy-5-methylacetophenone)- -(3-toloyl) hydrazone (HMAT = H2L 4 ) have been synthesized and characterized by elemental analysis, magnetic susceptibility, molar conductance, thermogravimetric analysis and spectral (IR, electronic, NMR) measurements. IR spectra indicates that the ligand behave as dibasic tridentate ligand in a chelate coordinating to Cr(III) ion through ketonic oxygen, azomethine nitrogen and by both enolic and phenolic protons (except in H2L 1 by naphtholic oxygen atom) via double deprotonation of ligands. The magnetic and spectral data indicate chelate in octahedral environment and analytical data suggest 1:1 stoichiometries for the complexes
Kinetic Analysis of TL Spectrum of ϒ-IrradiatedSrAl2O4:Eu2+, Dy3+ NanophosphorIJLT EMAS
Thermoluminescence is a simple technique for studying
the distribution of artificially created or naturally occurring
point defects. In present work we are reanalyzing the
Thermoluminescence response of Eu2+,Dy3+ doped SrAl2O4
nanophosphor at different irradiation dose of ϒ-rays, in
accordance with new method of analysis. Orders of kinetics for
different glow curves are recalculated. Order of kinetics values
are not same as already reported in literature. As per new model
order of kinetics depends on extent of retrapping and from
reanalysis we can infer that all the reported TL responses of
material under consideration are retrapping dominant process.
Natural Convection and Entropy Generation in Γ-Shaped Enclosure Using Lattice...A Behzadmehr
This work presents a numerical analysis of entropy generation in Γ-Shaped enclosure that was submitted to the natural convection process using a simple thermal lattice Boltzmann method (TLBM) with the Boussinesq approximation. A 2D thermal lattice Boltzmann method with 9 velocities, D2Q9, is used to solve the thermal flow problem. The simulations are performed at a constant Prandtl number (Pr = 0.71) and Rayleigh numbers ranging from 103 to 106 at the macroscopic scale (Kn = 10-4). In every case, an appropriate value of the characteristic velocity is chosen using a simple model based on the kinetic theory. By considering the obtained dimensionless velocity and temperature values, the distributions of entropy generation due to heat transfer and fluid friction are determined. It is found that for an enclosure with high value of Rayleigh number (i.e., Ra=105), the total entropy generation due to fluid friction and total Nu number increases with decreasing the aspect ratio.
The FTIR and FT Raman spectra of 1-4-Dichloro-2-NitroBenzene (14DC2NB) have been recorded in the region 4000-400 cm-1 and 3500-50 cm-1 respectively. The optimized geometry ,frequency and intensity of the vibrational bands of 1-4-Dichloro-2-NitroBenzene (14DC2NB) was obtained by the Density functional theory (DFT)using the basis set 6-31g(d,p). The harmonic vibrational frequencies were calculated and scaled values have been compared with experimental FT-IR and FT-Raman spectra. The Calculated and Observed frequencies are found to be in good agreement. UV-Visible spectrum of the compound was recorded, the electronic properties and HOMO - LUMO energies were calculated by Time Dependent DFT (TD-DFT) approach. A detailed interpretation of the infrared and Raman spectra were also reported based on Potential Energy Distribution (PED). The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of 14DC2NB were calculated using the GIAO approach by applying B3LYP method. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The Chemical reactivity and Thermodynamic properties of 14DC2NB at different temperatures were also calculated
International Journal of Engineering Research and Development (IJERD)IJERD Editor
journal publishing, how to publish research paper, Call For research paper, international journal, publishing a paper, IJERD, journal of science and technology, how to get a research paper published, publishing a paper, publishing of journal, publishing of research paper, reserach and review articles, IJERD Journal, How to publish your research paper, publish research paper, open access engineering journal, Engineering journal, Mathemetics journal, Physics journal, Chemistry journal, Computer Engineering, Computer Science journal, how to submit your paper, peer reviw journal, indexed journal, reserach and review articles, engineering journal, www.ijerd.com, research journals,
yahoo journals, bing journals, International Journal of Engineering Research and Development, google journals, hard copy of journal
Classical mechanics analysis of the atomic wave and particulate formstheijes
The International Journal of Engineering & Science is aimed at providing a platform for researchers, engineers, scientists, or educators to publish their original research results, to exchange new ideas, to disseminate information in innovative designs, engineering experiences and technological skills. It is also the Journal's objective to promote engineering and technology education. All papers submitted to the Journal will be blind peer-reviewed. Only original articles will be published.
Classical mechanics analysis of the atomic wave and particulate forms
Similar to Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+in Cd2(NH4)2(SO4)3 Single Crystals at Low Magnetic Field Direction (M=-3/2) at Different Temperatures
The International Journal of Engineering & Science is aimed at providing a platform for researchers, engineers, scientists, or educators to publish their original research results, to exchange new ideas, to disseminate information in innovative designs, engineering experiences and technological skills. It is also the Journal's objective to promote engineering and technology education. All papers submitted to the Journal will be blind peer-reviewed. Only original articles will be published.
The papers for publication in The International Journal of Engineering& Science are selected through rigorous peer reviews to ensure originality, timeliness, relevance, and readability.
Theoretical work submitted to the Journal should be original in its motivation or modeling structure. Empirical analysis should be based on a theoretical framework and should be capable of replication. It is expected that all materials required for replication (including computer programs and data sets) should be available upon request to the authors.
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.
COHESIVE ENERGY AND SPECTROSCOPIC CONSTANTS OF HEAVY METAL HALIDES AND SOME C...ijceronline
International Journal of Computational Engineering Research (IJCER) is dedicated to protecting personal information and will make every reasonable effort to handle collected information appropriately. All information collected, as well as related requests, will be handled as carefully and efficiently as possible in accordance with IJCER standards for integrity and objectivity.
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.
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.
Consequencies of the new intensity formula in many optical spectroscopy fieldsIOSR Journals
This paper is an extended review paper about the use of a new intensity formula in optical emission spectroscopy, atmospheric physics and astronomy. The laboratory data of atomic- and ionic spectra from different light sources do support the new formula. In the atmospheric field dominant light mechanisms in aurora have been revealed, which follow the new formula. The inverse of this formula can also be used to show the photoelectric effect for many elements. In astronomy new methods have been developed of determining electron- and effective temperature, density and mass of stars with the new formula as a basis, which are in accordance with literature values. An investigation of the Balmer lines in the sun shows that they do follow the new formula. Therefore the new formula is important in the sun and the stars.
A.G. A. Abdelkawy, A.M.K. Shaltout, M.M. Beheary and A. Bakry
Department of Astronomy and Meteorology, Faculty of Science, Al-Azhar University, Cairo, Egypt. Postal Code 11884.
Ferroelectric domains,tensor pairs and magnetoelectric polarisability propert...Alexander Decker
International peer-reviewed academic journals call for papers, http://www.iiste.org
Similar to Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+in Cd2(NH4)2(SO4)3 Single Crystals at Low Magnetic Field Direction (M=-3/2) at Different Temperatures (20)
In this paper, we have described the coordinate (position) estimation of automatic steered car by using kalman filter and prior knowledge of position of car i.e. its state equation. The kalman filter is one of the most widely used method for tracking and estimation due to its simplicity, optimality, tractability and robustness. However, the application to non linear system is difficult but in extended kalman filter we make it easy as we first linearize the system so that kalman filter can be applied. Kalman has been designed to integrate map matching and GPS system which is used in automatic vehicle location system and very useful tool in navigation. It takes errors or uncertainties via covariance matrix and then implemented to nullify those uncertainties. This paper reviews the motivation, development, use, and implications of the Kalman Filter.
In this paper, a Vienna type boost rectifier is discussed and controlled using sliding mode control. Sliding mode control function is defined to control output. The object of this system is to provide desired output DC voltage in any possible circumstances.
The cultural-historical landmark of Shooshtar has traversed a very long distant since the ancient era. In fact it was the mutual corporation of history and nature that end up as a city like Shooshtar which is a combination of both tradition and culture, emerged authentically in a wild natural way through time; and taking the important historical landmarks under consideration, it is expected to become one significant tourism attraction district. Retaining the sustainable aspects of the city, this research aims to restore connection between natural and historical layers within the boundaries of natural city landscape restoration and its main purpose is to provide a range of principles and solutions for a sustainable development, natural resources‟ conservation, and retaining the historical sight of Shadorvan Bridge. Primary in this research, the issue and research method will be defined and afterwards, paraphrasing the keywords of historical landmark and the principles of landmark restoration would lead toward a series of principles for sustainable conservation in a historical landscape. Studying the site would be the next step and following the landscape restoration rules, some issues such as points of strength & weakness, opportunities, natural threats and vernacular culture will be concluded in a table, which all finally will indicate the criterions of preservation to the historical landscape restoration of Shadorvan Bridge. The total conclusion would reveal that the restoration of all the existing layers through the land and understanding the interconnections will guide us to a comprehensive & general restoration ways of the similar landmarks. The fulfillment of this research is achieved by means of descriptive-analytic method (with practical approach) in the context of library studies, harvest field and documents review, detailed plans, summary information and applied access to general principles.
This paper describes the CFD analysis and experimental validation for a blend of Ethanol and Diesel in CI Engine. Ethanol is the alcohol found in alcoholic beverages but it also makes an effective motor fuel. Since, ethanol possess low Cetane number it fails to auto ignite. In order to overcome this Diesel is blended with Ethanol. Thus the Diesel will ignite and thus facilitate the Ethanol to start burning. In this work a CFD model was created and the combustion analysis was carried out and the results were validated with experimental data. The Ethanol and Diesel fuels were mixed in different proportions and they were injected to the combustion chamber of a normal diesel engine. A single cylinder PC based VCR Engine was operated with this Ethanol - Diesel blend in different concentrations and at various loads. The experiment was successful and it showed that the Ethanol could be mixed with Diesel and could be injected without any engine modification. The difference between CFD and the experimental results obtained was found within acceptable range.
This study presents a new two-switch multi-input high step-up DC/DC converter. A coupled inductor is used to enhance the voltage gain. Having a bidirectional port makes the converter suitable for applications in need of battery such as stand-alone photovoltaic (PV) systems. As a result, the proposed converter has the merits of integrating two power sources along with boosting the input voltage. Furthermore, in comparison with typical three-port DC/DC converters which utilize three switches, the presented converter employ only two switches to control the converter. Hence, cost and size of the structure is reduced. In order to verify the performance of the converter, simulation results are taken and depicted.
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It consists of cw radar and fmcw radar ,range measurement,if amplifier and fmcw altimeterThe CW radar operates using continuous wave transmission, while the FMCW radar employs frequency-modulated continuous wave technology. Range measurement is a crucial aspect of radar systems, providing information about the distance to a target. The IF amplifier plays a key role in signal processing, amplifying intermediate frequency signals for further analysis. The FMCW altimeter utilizes frequency-modulated continuous wave technology to accurately measure altitude above a reference point.
NO1 Uk best vashikaran specialist in delhi vashikaran baba near me online vas...Amil Baba Dawood bangali
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Power plants release a large amount of water vapor into the
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Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+in Cd2(NH4)2(SO4)3 Single Crystals at Low Magnetic Field Direction (M=-3/2) at Different Temperatures
1. International Journal of Latest Research in Engineering and Technology (IJLRET)
ISSN: 2454-5031(Online)
www.ijlret.comǁ Volume 1 Issue 3ǁAugust 2015 ǁ PP.12-21
www.ijlret.com 12 | Page
Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra
of Cu2+
in Cd2(NH4)2(SO4)3 Single Crystals at Low Magnetic Field
Direction (M=-3/2) at Different Temperatures
J B Yerima, Simon Solomon and Tampul Mohammed Haman
Department of Physics, ModibboAdama University of Technology, P M B 2076 Yola, Nigeria
Abstract: In this paper, we have carried out computer simulation of Cu2+
:Cd2(NH4)2(SO4)3 in the low magnetic
field corresponding to x-direction and M=-3/2 at different temperatures. The normalized intensity decreases
with temperature showing a phase transition temperature of about 195 K. The least squares method yields the
intensity-temperature relation 𝐼 𝑁 = −0.0466𝑇 + 10.482 with correlation coefficient of R2
=0.9789. The
activation energy varies withtemperature in a similar pattern as intensity but has lower values than those
obtained from intensity and linewidths studies in all directions. The resonance field and linewidths depend on
temperature in the form of sum of polynomials and exponential terms confirming earlier findings (Yerimaand
De, 2014; De, 1986).
Keywords: Computer simulation, temperature, intensity, activation energy
Introduction
The Langbeinite family of complexes with general chemical formula (X+
)2(Y2+
)2(SO4)3 was discovered by Jona
and Pepinsky (1956) where X+
is ammonia or monovalent metal and Y2+
is a divalent metal. Babu et al (1984)
stated that a host of authors have carried out a number of investigations on the microscopic properties of the
langbeinite family of crystals. The complex cadmium ammonium sulphate, Cd2(NH4)2(SO4)3 abbreviated as
CAS is isomorphous to potassium magnesium sulphate, K2Mg2(SO4)3 abbreviated as PMS and both are
members of the langbeinite family of crystals. The explicit x-ray data on the atomic positions in CAS does not
seem to be available in the literature but that of PMS have been reported by Zemann and Zemann (Babuet al,
1984). In addition, they stated that some authors have shown that the langbeinite family of complexes in cubic
space group P2/3 with a=10.35 𝐴 have four molecules per unit cell. The structure consists of a group of (SO4)2-
tetrahedral and Cd2+
metal ions. There are two each crystallographically non-equivalent Cd2+
and (NH4)+
sites.
Each Cd2+
is surrounded by six oxygen atoms which form a slightly distorted octahedron. Yerima (2005, 2007)
stated that EPR studies of Misra and Korezak in 1986 using Mn2+
as a probe revealed a phase transition at 94.5
K whose mechanism was attributed to the freezing out of the rotation of the (SO4)2-
ion. In addition, he stated
that EPR studies of Mouli and Sastry in 1962 using Cu2+
probe at room temperature and 77 K yielded eight
poorly resolved hyperfine lines in a general direction and a set of four unresolved hyperfine lines in any
crystallographic plane. Their computed values of the g-factor showed that g//>gᗮ and that the Amax is falling
along gmin. They concluded that Cu2+
ions in this system may be in a compressed octahedral position or entered
into the system interstitially rather than substitutionally. The shortcomings of the study of Mouli and Sastry
include its limitation to 77 K and its failure to focus on JT effect that could be associated with Cu2+
in this
crystal as earlier hinted by Babu et al in 1984. Raman spectroscopy performed by Rabkinet al (1981) provided
substantial information on the structural phase transition in this crystal. They observed that CAS exhibits a
structural phase transition on lowering the temperature from space group p2/3 to p21 at about 95 K, the lower the
temperature phase being ferroelectric. Babu et al (1984) in their summary stated that Bhatet al (1973) EPR
spectra of Mn2+
in the two phase groups of CAS observed at room temperature and at liquid nitrogen were
slightly different, particularly in the magnitudes of their zero-field splitting, as a result of small orthorhombic
component in the low temperature phase. The differences in the spectra indicated a phase transition from high
temperature phase p2/3 to a low temperature phase p21. In another outlook, Yerima (2005) stated that Ng and
Calvo in 1975 observed in their EPR studies using Mn2+
in the temperature range 300-77 K observed definite
change in the spectral pattern from that of room temperature to that of liquid nitrogen temperature due to a phase
transition from p2/3 to a space group of lower symmetry at low temperature. They did not analyze the spectra nor
determine the phase transition temperature due to the complexity of the spectra at liquid nitrogen temperature.
The study of phase transition in CAS using VO2-
as a probe in the temperature range of 573-77 K
showed a complex spectrum, in which Babu et al (1984) were unable to identify the phase transition temperature
and they suggested that the lower temperature phase stabilizes at temperatures higher than 95 K. This was due to
a local stabilization of the low symmetry phase by vandyl ions. They also found that the data of their experiment
2. Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+
in Cd2(NH4)2(SO4)3
www.ijlret.com 13 | Page
contained Cu2+
ion as contaminant and thus concluded that the complication in their results could have been due
to a possible JT effect associated with Cu2+
ion in this crystal. Unfortunately, they did not carry out further
investigation to establish or rule out the possibility of JT effect due to Cu2+
ion in this system.
De (2010) said in order to ascertain JT effect of Cu2+
in CAS Oguama carried out detailed EPR study of
Cu2+
doped in CAS at various temperatures in the range of 300-15 K with angular variations usually at steps of
5o
and 0.5o
near JT extreme points in three mutually perpendicular planes of CAS single crystals. The Cu2+
:CAS
spectra consists of finely resolved hyperfine lines in the low magnetic field region at all temperatures except 15
K while those in the high magnetic field region are poorly resolved at high temperatures. The insufficient
resolved splitting patterns of the spectra constitute a major problem in the extraction of the relevant
spectroscopic parameters (resonance frequency, coupling constants, linewidths) from the spectra as starting
points in the computer simulation of the spectra. Therefore, a straightforward analysis is not possible in general
(neither for the human expert nor for a conceivable computer expert system (kirste, 1992)). It is against this
background, several methods (spectrum contraction or elimination hyperfine splitting constants, extraction of
hyperfine splitting constants, correlation method, maximum method, significance plots and ‘’roll-up’’
transformation) have been employed in the analysis of high resolution EPR spectra (Kirste, 1992; Wu, 2006).
These methods may be more or less useful in providing estimates for the hyperfine coupling constants. On the
other hand, the set of relevant spectroscopic parameters extracted from the spectra can be verified by spectrum
simulation and comparison with the experimental spectrum which is the method adapted in this paper. We have
adapted the spectrum fitting because it is considered an indispensable component in any scheme automated
spectrum analysis. In this work, we have considered the computer simulation of Cu2+
:Cd2(NH4)2(SO4)3 spectra
for M=-3/2 in the low field or x-direction.
Theory and method of computer simulation of EPR spectrum
In our earlier work (Yerimaet al.,2014),we have reported that the first derivative line shape function of EPR
spectra of Cu2+
manifesting static JT effect with orthorhombic g and A tensors in CAS is given by
𝐹′
𝐻 = − 2𝛼𝑓1
𝐻−
𝜐
𝛽 𝑔 𝑧
+𝐴 𝑧 𝑀 𝐼
𝐻−
𝜐
𝛽 𝑔 𝑧
+𝐴 𝑧 𝑀 𝐼
2
+𝑅1
2 − 2𝛼𝑓2
𝐻−
𝜐
𝛽 𝑔 𝑥
+𝐴 𝑥 𝑀 𝐼
𝐻−
𝜐
𝛽 𝑔 𝑥
+𝐴 𝑥 𝑀 𝐼
2
+𝑅2
2 − 2𝛼𝑓3
𝐻−
𝜐
𝛽 𝑔 𝑦
+𝐴 𝑦 𝑀 𝐼
𝐻−
𝜐
𝛽 𝑔 𝑦
+𝐴 𝑦 𝑀 𝐼
2
+𝑅3
2
1
where 𝑓1 = 𝑔𝑧
2
𝑔 𝑥
4
− 𝑔 𝑦
2 𝜋
2
+ 𝜋𝑔 𝑦
4
, 𝑓2 = 𝑔 𝑥
2
𝑔𝑧
4
− 𝑔 𝑦
2 𝜋
2
+ 𝜋𝑔 𝑦
4
, 𝑓3 = 𝑔 𝑦
2
𝑔 𝑥
4
− 𝑔𝑧
2 𝜋
2
+ 𝜋𝑔 𝑦
4
, α is the fractional
relative abundance of copper isotopes α(Cu63
) = 0.69 and α(Cu65
) = 0.31 ; gx, gy, gz are g-factors along the x-, y-
, and z-axes respectively; H is the applied magnetic field; Ax, Ay, Az are the hyperfine constants in the x-, y-,
and z-axes respectively; R1, R2, R3 are the linewidth parameters in the x-, y-, and z-axes respectively; MI=-3/2, -
1/2, 1/2, 3/2 and β is the Bohr magneton. The terms in the curly brackets represent the magnification factor of
the line shape while the terms in square brackets determine the shape of the EPR line.
Since computer simulation of the line shape function represented by equation (1) is cumbersome and
time consuming because many variables are involved, we search for a simpler line shape function involving less
number of variables. One of such functions is the integrated Lorentzian line shape function involving only three
variables of theform (Blakemore, 1985)
𝑃 =
Γ2
𝑃 𝑚𝑎𝑥
Γ2
+ 𝐻−𝐻 𝑟
2 2
where P power, Γ is the half linewidth, H is the magnetic field and Hr is the resonance magnetic field. Equation
(2) is simpler to simulate since it has only three variables (H, Hr, Γ) as compared to sixvariables (H, α, Ri, A, M,
g) in equation (1). In theory, the plot of P versus H gives the expected resonance curve as shown in Fig.1b. In
practice, when the resonance curve is broad, it becomes difficult to locate the resonance magnetic field
precisely. As a result, the EPR spectrometer machine is designed in such a way that it records the derivative
spectrum instead (Fig.1a) from which the resonance field can be located precisely.
Br
B1 B2
B pp
hpp
B (Tesla)
(a)
Γ Γ
P
m ax
Pm ax
½
B1
Br
B2
B
(b)
Fig.1 (a) first derivative and (b) integrated EPR spectrum
3. Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+
in Cd2(NH4)2(SO4)3
www.ijlret.com 14 | Page
Now from Fig.1b, it can easily be shown that
2Γ = Δ𝐵1
2
3
Taking the first derivative of equation (2) with respect to H, we have
𝑑𝑃
𝑑𝐻
=
−2Γ2
𝑃 𝑚𝑎𝑥 𝐻−𝐻 𝑟
Γ2
+ 𝐻−𝐻 𝑟
2 2 4
The ratio
𝑑𝑃
𝑑𝐻
represents the normalized intensity designated by IN. In practice, the normalized intensity is defined
as the ratio of the peak-to-peak height of the spectrum of the sample to that of the standard spectrum. It is also
defined as the ratio of power to maximum power which is equal to 1 at maximum absorbance power by the
sample in the cavity. At this point resonance occurs and the resonance condition is 𝜈 = gβH where h is the
Planck’s constant, ν is the frequency of the microwave signal, g is the spectroscopic splitting constant, β is the
Bohr magneton and H is the varying magnetic field.
The plot of INversus H is the EPR spectrum (Fig.1a) that the EPR machine displays. Also, from Fig. 1a
we can easily deduce the resonance magnetic field Hras the field corresponding to zero lineshape, that is, H =
Hr.
Similarly, taking the second derivative of equation (4) with respect to H, gives
𝑑2 𝑃
𝑑𝐻
=
Γ2
+ H−Hr
2−4 H−Hr
2
Γ2
+ 𝐻−𝐻 𝑟
2 3 5
Again we can easily show that at resonance, 𝑑2 𝑃
𝑑𝐻2=0, which gives
2Γ = 3Δ𝐻𝑝𝑝 6
Therefore, combining equations (3) and (6), we have
Δ𝐻1
2
= 3Δ𝐻𝑝𝑝 7
The ratio
Δ𝐻1
2
Δ𝐻 𝑝𝑝
= 3 = 1.7321from equation (7) gives the condition that the line is Lorentzian.
In our previous works (Yerima 2014; Yerima and De 2014), we have studied the linewidth, intensity,
relaxation times and computer simulation of the spectra of Cu2+
in CAS at various temperatures using equation
(1) involving six variables which made the simulation tedious and time consuming (Yerimaet al., 2014). In all
these studies, we have reported that the orthorhombicity of the spectra is attributed to the non-equivalency of the
three JT potential wells of Cu2+
in this system. Therefore, it is expected that the potential would vary with
temperature. However, in our earlier study of linewidth and intensity as functions of temperature it was only
possible for us to determine the average potential. It is against this background that we investigated the variation
of energy with temperature by simulating the spectra in the lower magnetic field or x-direction for M=-3/2 using
equation (4) which is simpler involving only two variables instead of that of Yerimaand De (2014) involving six
variables.In the computer simulation process, first, the resonance magnetic field Hr, estimated value of peak-to-
peak linewidth∆𝐻𝑝𝑝 from the observed spectrum (Fig. 1a) and the calculated value of Γ from equation (6) were
used as starting points. Second, these values of Hr, Γ and ∆𝐻𝑝𝑝 were substituted in equation (4) and the resulting
line shape was compared or matched with observed EPR line. Third, the value of Hr was kept constant since it
can be measured accurately from the spectrum while thevalues of Γ and ∆𝐻𝑝𝑝 were varied by small amounts in
the ranges ±0.005-0.01 and ±5-10 G respectively around the initial values until the line that best fits the
observed EPR line was obtained. Fourth, the effective values ofHr,Γ and ∆𝐻𝑝𝑝 corresponding to the simulated
EPR lines of Cu2+
in CAS at a particular temperature was recorded. Fifth, the effective values of H, Γ and ∆𝐻𝑝𝑝
were substituted into equation (2) to obtain the type of integrated spectrum (Fig. 1b) from which ∆𝐻1
2
was
measured. Sixth, other EPR parameters of interest were either measured from the type of spectra in Fig. 1 and
others calculated from relevant equations. Finally, these procedures were repeated for Cu2+
:CAS spectra at
different temperatures.
Results and discussion
Table 1 Intensity and potential energy of CAS at various temperatures
T (K) IN ΔHpp(Tesla) Γ (Tesla) Hr (Tesla) E(cm-1
)
80 7.14 0.00121 0.00104 0.2634 59.7
110 5.83 0.00329 0.00285 0.2522 58.9
120 5.41 0.00241 0.00209 0.2684 57.6
130 5.20 0.00263 0.00228 0.2660 56.0
140 4.45 0.00219 0.00190 0.2680 51.4
180 1.89 0.00351 0.00304 0.2618 23.9
190 1.79 0.00482 0.00418 0.2737 23.8
200 0.91 0.00307 0.00266 0.2765 12.2
210 0.85 0.00406 0.00351 0.2794 11.9
4. Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+
in Cd2(NH4)2(SO4)3
www.ijlret.com 15 | Page
220 0.60 0.00329 0.00285 0.2779 8.7
230 0.50 0.00351 0.00304 0.2787 7.5
240 0.30 0.00318 0.00275 0.2772 4.7
The peak to peak height of the spectra of Cu2+
:CAS and that of the standard were measured at various
temperatures. The ratio of the peak to peak height of Cu2+
:CAS spectrum to that of the standard gives the
normalized intensity INof this system.
Fig. 2 Variation of normalized intensity of Cu2+
:CAS with temperature
In Fig. 2, the normalized intensity of Cu2+
:CAS spectra in the lower magnetic field (M=-3/2) decreases with
temperature. The intensityshows abrupt change between 190 K and 200 K which may be attributed to phase
transition temperature at about 195 K. The decrease in the intensity of this system depends on the way the
population of the lower energy level changes on heating i.e. the population of the lower energy state or intensity
is higher than that of the excited state.This is in agreement with earlier findings that the three Jahn-Teller (JT)
potential wells are non-equivalent i.e. the separation of the potential wells in this direction varies with
temperature. To calculate the potential energy of the wells in this direction, we employed to first approximation
the least squares method and we obtained the intensity-temperature relation𝐼 𝑁 = −0.0466𝑇 + 10.842 with
correlation coefficient R2
=0.9789. The coefficient -0.0466 K-1
of T in this relation represents the rate of the
decrease of the intensity with temperature and the intercept represents the intensity Io=10.842as the temperature
tends to absolute zero. The activation or potential energy 𝐸 = −𝑘𝑇𝑙𝑛 1 −
𝐼 𝑁
𝐼 𝑜
is calculated for each measured
IN at temperature T where k is the Boltzmann constant and recorded in Table 1. The variation of E with
temperature is similar to that of intensity with temperature. However, the values of E obtained in this work in
the x-direction or low magnetic field lie in the range 4.7-59.7 cm-1
as opposed to average range 393.5-417.2 cm-1
obtained for intensity and linewidth studies of this system in all directions (Yerima and De, 2014).
On the other hand, the resonance field Hr, linewidthsΓandΔHppwere obtained from the simulated
spectra (Fig. 3) and recorded in Table 1. These quantities fluctuate with temperature in the form of polynomial
(Table 1). This agrees with earlier findings that bothrelaxation time and linewidthdepend on temperaturein the
form of sum of polynomials and exponential terms (Yerima, 2014; De, 1986).
0
1
2
3
4
5
6
7
8
0 50 100 150 200 250 300
IN
T (K)
5. Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+
in Cd2(NH4)2(SO4)3
www.ijlret.com 16 | Page
-1.5
-1
-0.5
0
0.5
1
1.5
0.24 0.25 0.26 0.27 0.28
integral
1/200 xderivative
IN
B(T)
80 K
-1.5
-1
-0.5
0
0.5
1
1.5
0.23 0.24 0.25 0.26 0.27
integral
1/110 xderivative
IN
B(T)
6. Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+
in Cd2(NH4)2(SO4)3
www.ijlret.com 17 | Page
-1.5
-1
-0.5
0
0.5
1
1.5
0.25 0.26 0.27 0.28 0.29
integral
1/150 xderivative
B(T)
IN 120 K
-1.5
-1
-0.5
0
0.5
1
1.5
0.25 0.26 0.27 0.28 0.29
integral
1/140 xderivative
IN 130 K
B(T)
7. Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+
in Cd2(NH4)2(SO4)3
www.ijlret.com 18 | Page
-1.5
-1
-0.5
0
0.5
1
1.5
0.25 0.26 0.27 0.28 0.29
integral
1/170 xderivative
B(T)
IN 140 K
-1.5
-1
-0.5
0
0.5
1
1.5
0.24 0.25 0.26 0.27 0.28 0.29
integral
1/105 xderivative
IN
180 K
B(T)
8. Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+
in Cd2(NH4)2(SO4)3
www.ijlret.com 19 | Page
-1.5
-1
-0.5
0
0.5
1
1.5
0.25 0.26 0.27 0.28 0.29 0.3
integral
1/77 xderivative
B(T)
IN 190 K
-1.5
-1
-0.5
0
0.5
1
1.5
0.25 0.26 0.27 0.28 0.29 0.3
integral
1/122 xderivative
B(T)
IN 200 K
9. Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+
in Cd2(NH4)2(SO4)3
www.ijlret.com 20 | Page
Fig. 3 Temperature dependence of the normalized intensity and lowmagnetic field in the M=-3/2 or x-direction
Conclusion
In this paper, we have carried out computer simulation of the Cu2+
:CAS spectra in the low magnetic field in the
x-direction for M=-3/2 at different temperatures. The normalized intensity obtained from the simulated spectra
decreases with temperature showing a phase transition temperature of about 195 K. The calculated activation
energy varies with temperature in the same way as the normalized intensity. In another vein, we observed that
the peak to peak linewidth and resonance field vary in the form of polynomials as opposed to exponential
behaviour in our earlier studies of the linewidth and intensity of this system in all directions.
-1.5
-1
-0.5
0
0.5
1
1.5
0.25 0.26 0.27 0.28 0.29 0.3
integral
1/90 xderivative
B(T)
IN 210 K
-1.5
-1
-0.5
0
0.5
1
1.5
0.25 0.26 0.27 0.28 0.29 0.3
integral
1/112 xderivative
220 KIN
B(T)
10. Computer Simulation of EPR Orthorhombic Jahn-Teller Spectra of Cu2+
in Cd2(NH4)2(SO4)3
www.ijlret.com 21 | Page
References
[1]. Babu D. S, SastryG. S, Sastry M. D and Dalvi A. G. I (1984) Structural phase transition in Langbeinites
an EPR study, J. Phys. C. Solid state Phys. 17, 4245
[2]. Blakemore, J. S (1985) Solid State Physics, Update Second Ed., Cambridge Uni. Press, 506.
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