Phase stability and mechanical properties of rhenium borides by first-principles calculations

Journal of Computational Chemistry

Volumn 31, Issue 9, 2010, Pages 1904-1910

  Zhao, Erjun ^a,b   Wang, Jinping ^c   Meng, Jian ^a   Wu, Z ^a  

^a CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c QINGDAO AGRICULTURAL UNIVERSITY   (China)

Author keywords

Elastic properties; First principles; High pressure; Phase stability; Rhenium borides

Indexed keywords

CONVEX HULL; ELASTIC PROPERTIES; EXPERIMENTAL OBSERVATION; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FORMATION ENTHALPY; HIGH PRESSURE; HIGH-PRESSURE PHASE; MECHANICALLY STABLE; STABLE PHASIS; THERMODYNAMICALLY STABLE; ZERO PRESSURE;

BORIDES; DENSITY FUNCTIONAL THEORY; ELASTICITY; ENTHALPY; MECHANICAL PROPERTIES; RHENIUM; SYSTEM STABILITY;

PHASE STABILITY;

EID: 77953211009     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21477     Document Type: Article

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