Calculation of structural, elastic, electronic, and thermal properties of orthorhombic CaTiO3

Physica B: Condensed Matter

Volumn 405, Issue 18, 2010, Pages 3879-3884

  Boudali, A ^a   Abada, A ^a   Driss Khodja, M ^a   Amrani, B ^b   Amara, K ^a   Driss Khodja, F ^a   Elias, A ^a  

^a UNIVERSITY OF SAIDA   (Algeria)

^b UNIVERSITÉ DE MASCARA   (Algeria)

Author keywords

FP LAPW; Perovskite; PW PP; Thermal properties

Indexed keywords

ELASTIC MODULI; ELASTIC WAVES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EQUILIBRIUM CONSTANTS; LATTICE CONSTANTS; SPECIFIC HEAT; THERMAL EXPANSION; THERMODYNAMIC PROPERTIES; WAVE PROPAGATION;

EXCHANGE-CORRELATIONS; FP-LAPW; FULL POTENTIAL-LINEARIZED AUGMENTED PLANE WAVES; GENERALIZED GRADIENT APPROXIMATIONS; PLANE WAVE PSEUDOPOTENTIAL; PRESSURE AND TEMPERATURE; PRESSURE DERIVATIVES; THERMAL EXPANSION COEFFICIENTS;

PEROVSKITE;

EID: 77955466291     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.06.020     Document Type: Article

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