First-principles Hartree-Fock description of the electronic structure of monoclinic C2/m LixMnO2 (1 ≥ x ≥ 0)

Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties

Volumn 77, Issue 4, 1998, Pages 1077-1092

  Mackrodt, W C ^a   Williamson, E A ^a  

^a UNIVERSITY OF ST ANDREWS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; FERMI LEVEL; MATHEMATICAL TECHNIQUES; SPECTROSCOPY;

ANTIFERROMAGNETIC SPIN ARRANGEMENT; GROUND STATE VALENCE CONFIGURATION; HARTREE-FOCK CALCULATIONS; MULLIKEN ANALYSIS;

LITHIUM COMPOUNDS;

EID: 0032047491     PISSN: 13642812     EISSN: None     Source Type: Journal    
DOI: 10.1080/13642819808206406     Document Type: Article

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