Structural stability and electronic properties of Co2N, Rh 2N and Ir2N

Journal of Physics and Chemistry of Solids

Volumn 69, Issue 11, 2008, Pages 2723-2727

  Wu, Zhijian ^a   Zhao, Erjun ^a,b  

^a CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Ab initio calculations; Electronic structure; Inorganic compounds

Indexed keywords

CALCULATIONS; CARBON DIOXIDE; CHEMICAL BONDS; COBALT COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; INORGANIC COMPOUNDS; RHODIUM; STABILITY;

AB INITIO CALCULATIONS; BONDING BEHAVIOR; FIRST PRINCIPLES; FORMATION ENERGIES; HARD MATERIAL; MECHANICALLY STABLE; STRUCTURAL STABILITIES; THERMODYNAMICALLY STABLE;

IRIDIUM;

EID: 55349103371     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2008.06.147     Document Type: Article

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