Electronic structure and local environment of substitutional V3+ in grossular garnet Ca3Al2(SiO4)3: K-edge X-ray absorption spectroscopy and first-principles modeling

American Mineralogist

Volumn 95, Issue 8-9, 2010, Pages 1161-1171

  Bordage, Amélie ^a   Brouder, Christian ^a   Balan, Etienne ^a   Cabaret, Delphine ^a   Juhin, Amélie ^a   Arrio, Marie Anne ^a   Sainctavit, Philippe ^a   Calas, Georges ^a   Glatzel, Pieter ^b  

^a UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^b EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

Author keywords

Angular dependence; Crystal field splitting; DFT calculations; Garnet; HERFD XAS; K pre edge; Structural relaxation; Vanadium

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GARNETS; LIGHT ABSORPTION; SINGLE CRYSTALS; STRUCTURAL RELAXATION; VANADIUM; X RAY ABSORPTION SPECTROSCOPY;

ANGULAR DEPENDENCE; CRYSTAL-FIELD SPLITTING; DFT CALCULATION; HERFD-XAS; PRE-EDGES;

CALCULATIONS;

CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; GARNET; OPTICAL PROPERTY; VANADIUM; X-RAY SPECTROSCOPY;

EID: 77957303140     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am.2010.3432     Document Type: Article

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