High pressure study of structural and electronic properties of calcium chalcogenides
The structural and electronic properties of calcium chalcogenides CaX (X= S, Se, Te) under
high pressure have been investigated using the full potential linearized augmented plane …
high pressure have been investigated using the full potential linearized augmented plane …
FP-APW+ lo calculations of the elastic properties in zinc-blende III-P compounds under pressure effects
The effect of high-pressures on the structural and elastic properties of XP zinc-blende
compounds, with X= B, Al, Ga and In, has been investigated using the full-potential …
compounds, with X= B, Al, Ga and In, has been investigated using the full-potential …
First-principles investigation of BNxP1− x, BNxAs1− x and BPxAs1− x ternary alloys
FEH Hassan, H Akbarzadeh - Materials Science and Engineering: B, 2005 - Elsevier
First-principles calculations have been used to investigate the structural and electronic
properties of boron ternary alloys (BNxP1− x, BNxAs1− x and BPxAs1− x) using full potential …
properties of boron ternary alloys (BNxP1− x, BNxAs1− x and BPxAs1− x) using full potential …
Electronic, optical, and elastic properties of cafi monolayer and acoustic phonon dispersion at hypersonic frequencies using density functional theory and beyond with …
M Barhoumi, N Sfina - ACS omega, 2022 - ACS Publications
The extraordinary properties of graphene have motivated us to investigate a novel 2D
compound. In this framework, we study the structural, vibrational, electronic, optical, and …
compound. In this framework, we study the structural, vibrational, electronic, optical, and …
KAgSe: a new two-dimensional efficient photovoltaic material with layer-independent behaviors
Recent advances in the development of two-dimensional (2D) materials have stimulated
people's interest and enthusiasm to discover new kinds of 2D functional materials. In this …
people's interest and enthusiasm to discover new kinds of 2D functional materials. In this …
Ground state properties and structural phase transition of beryllium chalcogenides
FEH Hassan, H Akbarzadeh - Computational materials science, 2006 - Elsevier
The ground state properties and the structural phase transformation of beryllium
chalcogenides (BeS, BeSe, and BeTe) have been investigated using first principle full …
chalcogenides (BeS, BeSe, and BeTe) have been investigated using first principle full …
Ab initio study of structural phase stability and elastic properties of ScSb and YSb under pressure effect
A Bouhemadou, R Khenata - Physics Letters A, 2007 - Elsevier
A theoretical studies of structural, elastic and high pressure properties in MSb (M= Sc, Y) are
performed, using the full-potential augmented plane wave plus local orbitals method (FP …
performed, using the full-potential augmented plane wave plus local orbitals method (FP …
First-principles study of the ternary semiconductor alloys (Ga, Al)(As, Sb)
FEH Hassan, A Breidi, S Ghemid, B Amrani… - Journal of Alloys and …, 2010 - Elsevier
First-principles calculations are performed to study the structural, electronic, optical and
thermodynamic properties of technologically important AlxGa1− xAs, AlxGa1− xSb …
thermodynamic properties of technologically important AlxGa1− xAs, AlxGa1− xSb …
Structural and electronic properties of the wide-gap Zn1− xMgxS, Zn1− xMgxSe and Zn1− xMgxTe ternary alloys
Zn 1− x Mg x S, Zn 1− x Mg x Se and Zn 1− x Mg x Te ternary wide-gap semiconductor alloys
were investigated using the full potential–linearized augmented plane wave (FP-LAPW) …
were investigated using the full potential–linearized augmented plane wave (FP-LAPW) …
First-principles elastic and bonding properties of barium chalcogenides
FEH Hassan, H Akbarzadeh - Computational materials science, 2006 - Elsevier
First-principles calculations have been used to investigate the elastic and the bonding
properties of barium chalcogenides BaS, BaSe, and BaTe at equilibrium as well as high …
properties of barium chalcogenides BaS, BaSe, and BaTe at equilibrium as well as high …