Electronic, structural, and elastic properties of metal nitrides XN (X = Sc, Y): A first principle study

AIP Advances

Volumn 2, Issue 3, 2012, Pages

  Ekuma, Chinedu E ^a   Bagayoko, Diola ^b   Jarrell, Mark ^a   Moreno, Juana ^a  

^a LOUISIANA STATE UNIVERSITY   (United States)

^b SOUTHERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EQUILIBRIUM CONSTANTS; LATTICE CONSTANTS; NITRIDES; QUANTUM CHEMISTRY; REFRACTORY METAL COMPOUNDS; TRANSITION METALS;

BASIS SET OPTIMIZATION; ELASTIC PROPERTIES; ELECTRONIC BAND GAPS; FIRST PRINCIPLE METHOD; FIRST-PRINCIPLE STUDY; LINEAR COMBINATION OF ATOMIC ORBITALS; REASONABLE ACCURACY; SYSTEM OF EQUATIONS;

ENERGY GAP;

EID: 84874651131     PISSN: None     EISSN: 21583226     Source Type: Journal    
DOI: 10.1063/1.4751260     Document Type: Article

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