Ab initio studies of structural, electronic, optical, elastic and thermal properties of silver gallium dichalcogenides (AgGaX2: X= S, Se, Te)

S Sharma, AS Verma, VK **dal - Materials Research Bulletin, 2014 - Elsevier
We have performed ab initio calculations for the structural, electronic, optical, elastic and
thermal properties of the silver gallium dichalcogenides (AgGaX 2: X= S, Se, Te). In this …

Simulated solar cell device of CuGaSe2 by using CdS, ZnS and ZnSe buffer layers

P Singh, R Gautam, S Sharma, S Kumari… - Materials Science in …, 2016 - Elsevier
We have performed ab-initio calculations for the structural, electronic, optical, elastic and
thermal properties of the copper gallium chalcopyrite (CuGaSe 2). The Full Potential …

First principles studies of structural, electronic, optical, elastic and thermal properties of Ag-chalcopyrites (AgInX2: X= S, Se)

S Sharma, AS Verma, VK **dal - Physica B: Condensed Matter, 2014 - Elsevier
First principles calculations for the structural, electronic, optical, elastic and thermal
properties of the silver indium dichalcogenides (AgInX 2: X= S and Se) have been reported …

Ab initio studies of structural, elastic and thermal properties of copper indium dichalcogenides (CuInX2: X= S, Se, Te)

S Sharma, AS Verma, R Bhandari, VK **dal - Computational materials …, 2014 - Elsevier
We have performed ab initio calculations for the structural, elastic and thermal properties of
the copper indium dichalcogenides (CuInX 2: X= S, Se, Te). We have used the full potential …

First principles study of the structural, electronic, optical, elastic and thermodynamic properties of CdXAs2 (X= Si, Ge and Sn)

S Sharma, AS Verma, R Bhandari, S Kumari… - Materials science in …, 2014 - Elsevier
The first principles calculations were performed by the linearized augmented plane wave
(LAPW) method as implemented in the WIEN2K code within the density functional theory to …

Ab initio studies of structural, electronic, optical, elastic and thermal properties of Ag-chalcopyrites (AgAlX2: X= S, Se)

S Sharma, AS Verma, R Bhandari, S Kumari… - Materials Science in …, 2014 - Elsevier
The ab-initio calculations for the structural, electronic, optical, elastic and thermal properties
of Ag-chalcopyrites (AgAlX 2: X= S and Se) have been reported using the full potential …

Ab initio studies of structural, electronic, optical, elastic and thermal properties of CuGaTe2

P Singh, S Sharma, S Kumari, VK Saraswat, D Sharma… - Semiconductors, 2017 - Springer
We have performed ab initio calculations for the structural, electronic, optical, elastic and
thermal properties of CuGaTe 2. In this study, we used an accurate full potential linearized …

Structural, electronic, optical, elastic and thermal properties of ZnXAs2 (X = Si and Ge) chalcopyrite semiconductors

S Sharma, AS Verma - The European Physical Journal B, 2014 - Springer
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 …

Elastic Properties of C-Type Lanthanide Sesquioxides

P Yadav, DS Yadav, D Singh, P Singh… - … European Journal of …, 2024 - periodicals.karazin.ua
In this study, we have presented the solid-state theory of plasma oscillations to investigate
the anisotropic elastic properties such as three independent static elastic stiffness constants …

Computational study of copper–gallium disulphide‐based solar cell devices by using CdS and ZnSe buffer layers

P Singh, R Gautam, S Sharma… - IET Science …, 2014 - Wiley Online Library
The authors have performed ab‐initio calculations for the structural, electronic, optical,
elastic and thermal properties of the copper–gallium disulphide (CuGaS2). The accurate full …