Electronic and mechanical properties of 5d transition metal mononitrides via first principles

Journal of Solid State Chemistry

Volumn 181, Issue 10, 2008, Pages 2814-2827

  Zhao, Erjun ^a,b   Wu, Zhijian ^a  

^a CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

5d transition metal mononitrides; Crystal structure; Elastic constants; Electronic properties; Formation enthalpy

Indexed keywords

DENSITY (SPECIFIC GRAVITY); DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTIC MODULI; ELECTRONIC PROPERTIES; ENTHALPY; MECHANICAL PROPERTIES; METALS; NITRIDES; TRANSITION METALS; ZINC SULFIDE;

5D TRANSITION METALS; DENSITY OF STATE; FORMATION ENTHALPY; MECHANICALLY STABLE; ROCK-SALT STRUCTURE; STABLE STRUCTURES; WURTZITE STRUCTURE; ZINC BLENDE;

CRYSTAL STRUCTURE;

EID: 55549131123     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2008.07.022     Document Type: Article

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