First-principles study of the structural, elastic, electronic, optical and thermodynamic properties of the cubic perovskite CsCdCl3 under high pressure

Solid State Communications

Volumn 150, Issue 39-40, 2010, Pages 1896-1901

  Ghebouli, B ^a   Ghebouli, M A ^b   Fatmi, M ^a   Bouhemadou, A ^a,c  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b UNIVERSITY OF BORDJ BOU ARRERIDJ   (Algeria)

^c KING SAUD UNIVERSITY   (Saudi Arabia)

Author keywords

A. Perovskite; B. PP PW method; D. Elastic properties; D. Electronic band structure

Indexed keywords

CADMIUM COMPOUNDS; CHLORINE COMPOUNDS; ENERGY GAP; LATTICE CONSTANTS; LOCAL DENSITY APPROXIMATION; MECHANICAL STABILITY; PEROVSKITE; REFRACTIVE INDEX; THERMODYNAMIC PROPERTIES;

ELASTIC PROPERTIES; ELECTRONIC BAND STRUCTURE; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; INDIRECT BAND GAP; PP-PW METHODS; QUASI-HARMONIC DEBYE MODEL; STATIC DIELECTRIC CONSTANTS;

STRUCTURAL PROPERTIES;

EID: 77957366046     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2010.07.041     Document Type: Article

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