Lattice dynamics of chalcopyrite semiconductors LiAlTe2, LiGaTe2 and LiInTe2
AV Kosobutsky, YM Basalaev… - physica status solidi …, 2009 - Wiley Online Library
Within density functional perturbation theory using norm‐conserving pseudopotentials and a
plane‐wave basis set calculations of phonon dispersion relations and densities of states of …
plane‐wave basis set calculations of phonon dispersion relations and densities of states of …
Elastic properties of chalcopyrite structured solids
Elastic properties (ie six independent elastic stiffness constants, C11, C12, C13, C33, C44
and C66) of chalcopyrite structured solids were evaluated. Values of C11, C33, C44, C66, of …
and C66) of chalcopyrite structured solids were evaluated. Values of C11, C33, C44, C66, of …
Ab initio investigations of structural, elastic and electronic properties of ZnSiP2: Pressure effect
In this work, we present ab initio investigations of the pressure effect on the structural, elastic
and electronic properties of ZnSiP2 by employing the plane wave pseudo-potential method …
and electronic properties of ZnSiP2 by employing the plane wave pseudo-potential method …
Bulk modulus and hardness of chalcopyrite structured solids
AS Verma - Materials Chemistry and Physics, 2013 - Elsevier
The bulk modulus and microhardness can be represented by an empirical linear relation
that is a simple function of melting temperature Tm, atomic volume Ω and product of ionic …
that is a simple function of melting temperature Tm, atomic volume Ω and product of ionic …
Ab initio calculations of the vibrational spectra of AgInSe2 and AgInTe2
AV Kopytov, AV Kosobutsky - Physics of the Solid State, 2009 - Springer
The phonon spectra and densities of states of AgInSe 2 and AgInTe 2 semiconductor
crystals with a chalcopyrite structure have been calculated from first principles by the linear …
crystals with a chalcopyrite structure have been calculated from first principles by the linear …
Zone-center phonons and elastic properties of ternary chalcopyrite ABSe2 (A= Cu and Ag; B= al, Ga and In)
The zone-center phonon frequencies and the elastic properties of six ternary chalcopyrite
compounds represented by ABSe 2 (A= Cu and Ag; B= Al, Ga and In) are systematically …
compounds represented by ABSe 2 (A= Cu and Ag; B= Al, Ga and In) are systematically …
Elastic and optical properties of Cu2ZnSn (SexS1− x) 4 alloys: density functional calculations
Abstract Cu 2 ZnSn (S 1− x Se x) 4 (CZT (S, Se)) is emerging as a very credible alternative to
CuIn 1− x Ga x Se 2 (CIGS) as the absorber layer for thin film solar cells. The former …
CuIn 1− x Ga x Se 2 (CIGS) as the absorber layer for thin film solar cells. The former …
Structural, electronic, optical, elastic and thermal properties of ZnXAs2 (X = Si and Ge) chalcopyrite semiconductors
We report first principles calculations of solid state properties of ZnSiAs 2 and ZnGeAs 2
chalcopyrite semiconductors. The structural properties are calculated using a Full Potential …
chalcopyrite semiconductors. The structural properties are calculated using a Full Potential …
Models for lattice thermal expansion and thermal conductivity for ternary (ANB2+ NC27− N) tetrahedral semiconductors
In this paper we have presented two expressions relating the lattice thermal expansion
coefficient (αL, 10− 6K− 1) and lattice thermal conductivity (K in m W (cmK)− 1) for AIIBIVC2V …
coefficient (αL, 10− 6K− 1) and lattice thermal conductivity (K in m W (cmK)− 1) for AIIBIVC2V …
Ab initio study of the structural, electronic, mechanical, dynamical, thermodynamic, linear and nonlinear optical properties of BeSiP2xAs2 (1− x) quaternary alloys
Y Asadi, Z Nourbakhsh - Journal of Physics and Chemistry of Solids, 2021 - Elsevier
The quaternary alloys B e S i P 2 x A s 2 (1− x) with the noncentrosymmetric chalcopyrite
structure are studied by means of ab initio density functional theory calculations. The …
structure are studied by means of ab initio density functional theory calculations. The …