Structural, mechanical and electronic properties of 4d transition metal mononitrides by first-principles

Computational Materials Science

Volumn 47, Issue 4, 2010, Pages 1064-1071

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

^a CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

^b QINGDAO AGRICULTURAL UNIVERSITY   (China)

^c UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

4d transition metal mononitrides; Crystal structure; Elastic constants; Electronic properties; Formation enthalpy

Indexed keywords

4D TRANSITION METAL MONONITRIDES; BULK MODULUS; DENSITY OF STATE; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FORMATION ENTHALPY; MECHANICAL AND ELECTRONIC PROPERTIES; MECHANICALLY STABLE; NIAS-TYPE STRUCTURE; ROCK SALT; ROCK-SALT STRUCTURE; SHEAR MODULUS; STABLE STRUCTURES; TYPE STRUCTURES;

CRYSTAL STRUCTURE; ELASTIC CONSTANTS; ELASTIC MODULI; ELECTRONIC PROPERTIES; ENTHALPY; MECHANICAL PROPERTIES; NITRIDES; TRANSITION METALS;

STRUCTURAL PROPERTIES;

EID: 74149091142     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.12.011     Document Type: Article

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