Local density calculation of structural and electronic properties for Ca10(PO4)6F2

Computational Materials Science

Volumn 10, Issue 1-4, 1998, Pages 346-350

  Louis Achille, V ^a   De Windt, L ^a   Defranceschi, M ^a  

^a INSTITUT DE RADIOPROTECTION ET DE SÛRETÉ NUCLÉAIRE IRSN   (France)

Author keywords

Charge density; Fluoroapatite; Local density functional; Pseudopotential

Indexed keywords

CALCIUM COMPOUNDS; CRYSTAL LATTICES; ELECTRONIC STRUCTURE; FLUORINE COMPOUNDS; QUANTUM THEORY;

FLUOROAPATITE; LOCAL DENSITY CALCULATIONS;

PHOSPHATES;

EID: 0031998169     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0927-0256(97)00137-7     Document Type: Article

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