Impact of microscopic bonding on the thermal stability and mechanical property of CaB6: A first-principles investigation

Ceramics International

Volumn 40, Issue 10, 2014, Pages 15997-16002

  Liu, Ai Dong ^a   Zhang, Xiao Hong ^a   Qiao, Ying Jie ^a  

^a HARBIN ENGINEERING UNIVERSITY   (China)

Author keywords

CaB6; Electronic structure; First principles; Mechanical stability; Thermodynamic stability

Indexed keywords

ELECTRONIC STRUCTURE; MECHANICAL STABILITY; THERMODYNAMIC STABILITY;

CAB6; DEFORMATION BEHAVIOR; FIRST PRINCIPLES; FIRST-PRINCIPLES INVESTIGATIONS; FORMATION ENTHALPY; IONIC BONDS; MECHANICAL PERFORMANCE; MECHANICALLY STABLE;

CALCIUM COMPOUNDS;

EID: 84912530222     PISSN: 02728842     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ceramint.2014.07.131     Document Type: Article

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