Computer modelling of point defects in ABO3 perovskites and MgO

Computational Materials Science

Volumn 30, Issue 3-4 SPEC. ISS., 2004, Pages 376-382

  Eglitis, R I ^a   Kotomin, E A ^a,b   Borstel, G ^a  

^a UNIVERSITY OF OSNABRÜCK   (Germany)

^b UNIVERSITY OF LATVIA   (Latvia)

Author keywords

ABO3 perovskites; Electron polarons; F centers; Hole polarons; Quantum chemical calculations

Indexed keywords

CHEMICAL BONDS; CRYSTAL ATOMIC STRUCTURE; DATA REDUCTION; ELECTRONIC STRUCTURE; LIGHT ABSORPTION; MAGNESIA; PARAMETER ESTIMATION; POLARONS;

BRILLOUIN ZONE; ELECTRON POLARONS; QUANTUM CHEMICAL CALCULATIONS; SHELL MODEL (SM);

PEROVSKITE;

EID: 3142689064     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.02.030     Document Type: Conference Paper

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