Electronic and magnetic structure of bulk cobalt: The α, Β, and ε -phases from density functional theory calculations

Journal of Chemical Physics

Volumn 133, Issue 2, 2010, Pages

  de la Peña O’Shea, Víctor Antonio ^a,b   de P R Moreira, Iberio ^c   Roldán, Alberto ^c,d   Illas, Francesc ^c  

^a IMDEA ENERGY INSTITUTE   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

^c UNIVERSITY OF BARCELONA   (Spain)

^d UNIVERSITAT ROVIRA I VIRGILI   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COBALT; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MAGNETISM;

CATALYTIC APPLICATIONS; COHESIVE ENERGIES; ELECTRONIC AND MAGNETIC PROPERTIES; ELECTRONIC REDISTRIBUTION; GENERALIZED GRADIENT APPROXIMATIONS; PLANE-WAVE BASIS SET; SPECIAL PROPERTIES; UNUSUAL BEHAVIORS;

DENSITY FUNCTIONAL THEORY;

EID: 77955733640     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3458691     Document Type: Article

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