Modelling of Al impurity in perovskite and ilmenite structures of MgSiO3

Physics and Chemistry of Minerals

Volumn 37, Issue 4, 2010, Pages 191-199

  Stashans, Arvids ^a   Eras, Leonardo ^a   Chamba, Gastón ^a  

^a UNIVERSIDAD TÉCNICA PARTICULAR DE LOJA   (Ecuador)

Author keywords

Aluminium doping; Electronic properties; Hartree Fock method; Magnesium silicate; Structure

Indexed keywords

AL-DOPING; ATOMIC DISPLACEMENT; ATOMIC RELAXATION; CHEMICAL BONDINGS; ELECTROSTATIC INTERACTIONS; HARTREE-FOCK METHOD; HARTREE-FOCK METHODS; HARTREE-FOCK THEORY; HOLE POLARONS; HOST ATOMS; ILMENITE STRUCTURE; MAGNESIUM SILICATES; NEIGHBOURHOOD;

ATOMS; CHEMICAL BONDS; CRYSTAL IMPURITIES; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; ILMENITE; MAGNESIUM; MINERALS; MOLECULAR PHYSICS; OXIDE MINERALS; PEROVSKITE; SILICATE MINERALS; SURFACE STRUCTURE;

ALUMINUM;

ALUMINUM; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; ILMENITE; MAGNESIUM; METHODOLOGY; MODELING; PEROVSKITE; SILICATE;

EID: 77951765293     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-009-0323-1     Document Type: Article

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