Lithium trapped-hole centre in magnesium oxide. An ab initio supercell study

Journal of Physics and Chemistry of Solids

Volumn 59, Issue 1, 1998, Pages 7-12

  Lichanot, A ^a   Larrieu, C ^a   Orlando, R ^b   Dovesi, R ^b  

^a Laboratoire de Chimie Structurale   (France)

^b UNIVERSITY OF TURIN   (Italy)

Author keywords

Electronic structure; Hartree Fock calculations; Magnesium oxide; Trapped hole centre

Indexed keywords

BAND STRUCTURE; COMPUTER SOFTWARE; CRYSTAL ATOMIC STRUCTURE; CRYSTAL DEFECTS; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; HOLE TRAPS; LITHIUM;

HARTREE-FOCK THEORY; SOFTWARE PACKAGE CRYSTAL; SUPERCELL SCHEME; TRAPPED-HOLE CENTER;

MAGNESIA;

EID: 0031622590     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-3697(97)00117-0     Document Type: Article

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