Electronic structure and elastic properties of strongly correlated metal oxides from first principles: LSD A + U, SIC-LSDA and EELS study of UO2 and NiO

Physica Status Solidi (A) Applied Research

Volumn 166, Issue 1, 1998, Pages 429-443

  Dudarev, S L ^a   Botton, G A ^b   Savrasov, S Y ^c   Szotek, Z ^d   Temmerman, W M ^d   Sutton, A P ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^d DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELASTIC MODULI; ELECTRON ENERGY LEVELS; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC STRUCTURE; NICKEL COMPOUNDS; URANIUM DIOXIDE;

LOCAL SPIN DENSITY APPROXIMATION (LSDA);

MATERIALS SCIENCE;

EID: 0032025558     PISSN: 00318965     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-396X(199803)166:1<429::AID-PSSA429>3.0.CO;2-F     Document Type: Article

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