Lattice, elastic properties and Debye temperatures of ATiO3 (A = Ba, Ca, Pb, Sr) from first-principles

Journal of Alloys and Compounds

Volumn 549, Issue , 2013, Pages 336-340

  Long, Jianping ^a   Yang, Lijun ^a   Wei, Xuesong ^a  

^a CHENGDU UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

ATiO3; Debye temperature; Elastic property; PBE for solids (PBEsol)

Indexed keywords

ATIO3; DENSITY FUNCTION THEORY; ELASTIC PROPERTIES; EXCHANGE-CORRELATIONS; GENERALIZED GRADIENT APPROXIMATIONS; LONGITUDINAL SOUND; PBE FOR SOLIDS (PBESOL); PLANE WAVE; TRANSVERSE SOUND;

DEBYE TEMPERATURE; ELASTIC MODULI; LEAD;

ELASTICITY;

EID: 84868259546     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2012.08.120     Document Type: Article

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