Ab initio study of the phase stability and mechanical properties of 5d transition metal nitrides MN2

Journal of Alloys and Compounds

Volumn 472, Issue 1-2, 2009, Pages 425-428

  Zhou, Jian ^a   Sun, Zhimei ^a,b   Ahuja, Rajeev ^b  

^a XIAMEN UNIVERSITY   (China)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

Density functional theory; Mechanical properties; Nitride materials

Indexed keywords

CHEMICAL BONDS; CHEMICAL STABILITY; DENSITY (SPECIFIC GRAVITY); DENSITY FUNCTIONAL THEORY; FUNCTIONAL MATERIALS; HAFNIUM; IRIDIUM; MANGANESE COMPOUNDS; MATERIALS PROPERTIES; MECHANICAL PROPERTIES; NITRIDES; OSMIUM; PLATINUM; PYRITES; REFRACTORY METAL COMPOUNDS; TANTALUM;

5D TRANSITION METALS; AB INITIO METHODS; AB INITIO STUDIES; CHEMICAL BONDINGS; FLUORITE STRUCTURES; NITRIDE MATERIALS; PLATINUM NITRIDES; TRANSITION-METAL NITRIDES;

PHASE STABILITY;

EID: 61349195341     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2008.04.086     Document Type: Article

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