Structural distortion and electronic properties of NiO under high pressure: An ab initio GGA+U study

Journal of Physics Condensed Matter

Volumn 18, Issue 42, 2006, Pages 9691-9701

  Zhang, Wei Bing ^a   Hu, Yu Lin ^a   Han, Ke Li ^b   Tang, Bi Yu ^a  

^a XIANGTAN UNIVERSITY   (China)

^b DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BANDWIDTH; DENSITY (SPECIFIC GRAVITY); ELECTRONIC PROPERTIES; PRESSURE EFFECTS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY (DFT); GENERALIZED GRADIENT APPROXIMATION (GGA); LOCAL DENSITY APPROXIMATION (LDA); STRUCTURAL DISTORTION;

NICKEL COMPOUNDS;

EID: 33750591702     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/18/42/015     Document Type: Article

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