Elasticity, electronic properties and hardness of MoC investigated by first principles calculations

Physica B: Condensed Matter

Volumn 419, Issue , 2013, Pages 45-50

  Liu, Yangzhen ^a   Jiang, Yehua ^a   Feng, Jing ^b   Zhou, Rong ^a  

^a KUNMING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b HARVARD UNIVERSITY   (United States)

Author keywords

Anisotropy; Density functional theory; Hardness; Mechanical properties; Molybdenum carbide

Indexed keywords

BONDING BEHAVIOR; COHESIVE ENERGIES; FIRST-PRINCIPLES CALCULATION; FORMATION ENTHALPY; MECHANICAL ANISOTROPY; MOLYBDENUM CARBIDE; SURFACE CONSTRUCTION; YOUNG'S MODULUS;

ANISOTROPY; CALCULATIONS; CARBIDES; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELASTICITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HARDNESS; MECHANICAL PROPERTIES; MOLYBDENUM;

ELASTIC MODULI;

EID: 84877264294     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2013.03.016     Document Type: Article

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