Theoretical prediction of the structural, elastic, electronic, optical and thermal properties of the cubic perovskites CsXF 3 (X = Ca, Sr and Hg) under pressure effect

Solid State Sciences

Volumn 14, Issue 7, 2012, Pages 903-913

  Ghebouli, B ^a   Ghebouli, M A ^b   Bouhemadou, A ^a   Fatmi, M ^a   Khenata, R ^c   Rached, D ^d   Ouahrani, T ^e   Bin Omran, S ^f  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b UNIVERSITY OF BORDJ BOU ARRERIDJ   (Algeria)

^c UNIVERSITÉ DE MASCARA   (Algeria)

^d UNIVERSITY OF SIDI BEL ABBES   (Algeria)

^e UNIVERSITY OF TLEMCEN   (Algeria)

^f KING SAUD UNIVERSITY   (Saudi Arabia)

Author keywords

Elastic constants; Electronic band structure; Perovskite; PP PW method

Indexed keywords

CUBIC PEROVSKITE; DUCTILE MATERIALS; ELECTRONIC BAND STRUCTURE; EXPERIMENTAL DATA; FINITE STRAIN; OPTICAL AND THERMAL PROPERTIES; POISSON'S RATIO; POLYCRYSTALLINE AGGREGATES; PP-PW METHOD; PRESSURE DERIVATIVES; PSEUDOPOTENTIAL PLANE-WAVE METHOD; THEORETICAL PREDICTION; YOUNG'S MODULUS;

CALCIUM; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTIC MODULI; PEROVSKITE; PRESSURE EFFECTS;

LATTICE CONSTANTS;

EID: 84861395614     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2012.04.019     Document Type: Article

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