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

Physica B: Condensed Matter

Volumn 438, Issue , 2014, Pages 97-108

  Sharma, Sheetal ^a,b   Verma, A S ^a   Jindal, V K ^b  

^a BANASTHALI UNIVERSITY   (India)

^b PANJAB UNIVERSITY   (India)

Author keywords

Ab initio calculations; Elastic constants; Electronic properties; Thermodynamic properties

Indexed keywords

AB INITIO CALCULATIONS; EXCHANGE-CORRELATION POTENTIAL; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; FULL POTENTIAL-LINEARIZED AUGMENTED PLANE WAVES; GENERALIZED GRADIENT APPROXIMATIONS; QUASI-HARMONIC DEBYE MODEL; THERMODYNAMICAL PROPERTIES;

ELASTIC CONSTANTS; ELASTIC MODULI; ELECTRONIC PROPERTIES; REFRACTIVE INDEX; SILVER; THERMAL EXPANSION;

THERMODYNAMIC PROPERTIES;

EID: 84893220361     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2013.12.031     Document Type: Article

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