Structural, mechanical, electronic, and anisotropic properties of niobium-doped strontium ferrite: first-principle calculations
In this research, the various physical properties of Nb-doped SrFeO 3 were investigated
using the density functional theory (DFT), which was not experimentally investigated and …
using the density functional theory (DFT), which was not experimentally investigated and …
Effects of negative chemical pressure on the structural, mechanical, and electronic properties of molybdenum-doped strontium ferrite
KM Hossain, Z Hasan - Materials Today Communications, 2021 - Elsevier
In this research, the effects of negative chemical pressure on various physical properties of
SrFeO 3 were investigated by partially substituting larger Mo at smaller Fe-site. The …
SrFeO 3 were investigated by partially substituting larger Mo at smaller Fe-site. The …
Effect of the negative chemical pressure on physical properties of doped perovskite molybdates in the framework of DFT method
In present study, the negative chemical pressure effect on SrMoO 3 molybdate system has
been demonstrated with the help of substitution based strategy employing density functional …
been demonstrated with the help of substitution based strategy employing density functional …
Influence of antimony on the structural, electronic, mechanical, and anisotropic properties of cubic barium stannate
Throughout this study, we have investigated Sb doping's effects on the physical metallurgy
of perovskite BaSnO 3 by employing the first-principles calculations based on the density …
of perovskite BaSnO 3 by employing the first-principles calculations based on the density …
Temperature dependence of phonons and related crystal properties in InAs, InP and InSb zinc-blende binary compounds
The optical, thermal and lattice vibrations of InAs, InP, InSb zinc-blende binary compounds
have been studied. This study is achieved by using the empirical pseudo-potential method …
have been studied. This study is achieved by using the empirical pseudo-potential method …
Optoelectronic properties of aluminum bismuth antimony ternary alloys for optical telecommunication applications: First principles calculation
M Benchehima, H Abid, A Sadoun… - Computational Materials …, 2018 - Elsevier
In this paper, optoelectronic properties of AlBi 1− x Sb x ternary alloys in zinc blende
structure, in complete range (0≤ x≤ 1), are theoretically evaluated from the full potential …
structure, in complete range (0≤ x≤ 1), are theoretically evaluated from the full potential …
Temperature and pressure dependence of elastic constants and related parameters for InP semiconductor
AR Degheidy, EB Elkenany, OA Alfrnwani - Silicon, 2017 - Springer
Based on the empirical pseudo-potential method (EPM), the symmetric and anti-symmetric
pseudo-potential form factors have been adjusted to match the calculated energy gaps of …
pseudo-potential form factors have been adjusted to match the calculated energy gaps of …
Impact of temperature and pressure on mechanical properties of GaxIn1− xAsyP1− y alloy lattice matched to different substrates
AR Degheidy, EB Elkenany - Journal of Alloys and Compounds, 2015 - Elsevier
Elastic constants and their related mechanical properties of zinc-blende Ga x In 1− x As y P
1− y alloy lattice matched to different substrates (GaAs, InP, ZnSe) are calculated for various …
1− y alloy lattice matched to different substrates (GaAs, InP, ZnSe) are calculated for various …
Influence of pressure and temperature on mechanical and thermal behaviors of InAsSb and GaAsSb alloys
EB Elkenany, MSH Othman - Physica Scripta, 2021 - iopscience.iop.org
We have performed the first-principles calculations using the Density Functional Theory
(DFT) and the empirical pseudopotential method (EPM) to study the fundamental behaviors …
(DFT) and the empirical pseudopotential method (EPM) to study the fundamental behaviors …
The hydrostatic pressure and temperature effects on hydrogenic impurity binding energies in lattice matched InP/In0. 53Ga0. 47As/InP square quantum well
The on-center shallow-donor impurity binding energy in lattice matched InP/In 0.53 Ga 0.47
As square quantum well structure have been theoretically investigated using effective mass …
As square quantum well structure have been theoretically investigated using effective mass …