First principles study on the formation of yttrium nitride in cubic and hexagonal phases

Computational Materials Science

Volumn 42, Issue 1, 2008, Pages 8-13

  Soto, G ^a   Moreno Armenta, M G ^a   Reyes Serrato, A ^a  

^a CENTRO DE CIENCIAS DE LA MATERIA CONDENSADA   (Mexico)

Author keywords

Ab initio; DFT; Interstitial alloys; LAPW; Transition metal nitrides; Yttrium nitride

Indexed keywords

CONCENTRATION (PROCESS); CRYSTAL SYMMETRY; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; NITROGEN;

HEXAGONAL PHASES; INTERSTITIAL ALLOYS; TRANSITION METAL NITRIDES; YTTRIUM NITRIDE;

YTTRIUM COMPOUNDS;

EID: 39149113477     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2007.06.003     Document Type: Article

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