First-principles investigations on elastic, phonon and thermodynamic properties of SrB 6 under pressure

Physica B: Condensed Matter

Volumn 407, Issue 3, 2012, Pages 361-367

  Li, Zhi Guo ^a   Piao, Chang Ge ^a   Pan, Xing ^a   Wei, Yong Kai ^a   Cheng, Yan ^a   Ji, Guang Fu ^b  

^a SICHUAN UNIVERSITY   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Density functional theory; Elastic properties; Phonon; SrB 6; Thermodynamics properties

Indexed keywords

ALKALINE EARTH; DENSITY FUNCTIONAL THEORY METHODS; ELASTIC PARAMETERS; ELASTIC PROPERTIES; FIRST-PRINCIPLES INVESTIGATIONS; HEXABORIDES; PHONON DISPERSIONS; PLANE WAVE; PRESSURE DEPENDENCE; PSEUDOPOTENTIALS; QUASI-HARMONIC DEBYE MODEL; SRB 6; STRUCTURE PARAMETER; THEORETICAL RESULT; THERMODYNAMICS PROPERTIES;

BORIDES; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELASTICITY; MECHANICAL STABILITY; THERMODYNAMIC PROPERTIES;

PHONONS;

EID: 84655167819     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.10.054     Document Type: Article

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