Structural, magnetic, and energetic properties of Na2 FePO 4 F, Li2 FePO4 F, NaFePO4 F, and LiFePO4 F from ab initio calculations

Journal of Applied Physics

Volumn 106, Issue 4, 2009, Pages

  Ramzan, M ^a   Lebgue S ^b   Larsson, P ^a   Ahuja, R ^a,c  

^a UPPSALA UNIVERSITY   (Sweden)

^b Nancy University CNRS   (France)

^c ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ENERGETIC PROPERTIES; EXCHANGE-CORRELATIONS; INTERCALATION VOLTAGES; INTERMEDIATE COMPOUND; LDA + U; LIFEPO;

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MAGNETIC PROPERTIES; SODIUM;

CRYSTAL STRUCTURE;

EID: 69749122110     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3202384     Document Type: Article

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