Electronic structure of LiMnO2: A comparative study of the LSDA and LSDA + U methods

Journal of Physics and Chemistry of Solids

Volumn 67, Issue 8, 2006, Pages 1731-1740

  Nath Shukla, Nitya ^a   Prasad, Rajendra ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

Author keywords

A. Oxides; D. Electronic structure; D. Magnetic structure

Indexed keywords

ANTIFERROMAGNETIC MATERIALS; APPROXIMATION THEORY; CORRELATION METHODS; ELECTRONIC STRUCTURE; ION EXCHANGE;

ANTIFERROMAGNETIC INSULATORS; LOCAL SPIN-DENSITY APPROXIMATION (LSDA); PLANE-WAVE METHOD; RHOMBOHEDRAL STRUCTURE;

LITHIUM COMPOUNDS;

EID: 33746238464     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2006.03.013     Document Type: Article

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