A quantum-chemical study of phosphor impurity in BaTiO3 crystal

International Journal of Quantum Chemistry

Volumn 108, Issue 5, 2008, Pages 992-995

  Stashans, Arvids ^a   Vidal, Gabriela ^a  

^a UNIVERSIDAD TÉCNICA PARTICULAR DE LOJA   (Ecuador)

Author keywords

BaTiO3; Hartree Fock method; P doping; Structural and electronic properties

Indexed keywords

CARRIER CONCENTRATION; CHEMICAL BONDS; DOPING (ADDITIVES); IMPURITIES; PHOSPHORS;

ELECTRONIC EFFECTS; INTERATOMIC DISTANCES;

QUANTUM CHEMISTRY;

EID: 39049142228     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21568     Document Type: Article

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