First-principles calculation of structural and energetic properties for a 2ti 2o 7 (a = lu, er, y, gd, sm, nd, la)

Journal of Materials Research

Volumn 24, Issue 4, 2009, Pages 1335-1341

  Zhang, Z L ^a   Xiao, H Y ^a   Zu, X T ^a   Gao, Fei ^b   Weber, W J ^b  

^a UNIVERSITY OF ELECTRONIC SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

A-SITE CATIONS; BAND GAP WIDTHS; BAND GAPS; CATION RADIUS; DEFECT FORMATION ENERGIES; ENERGETIC PROPERTIES; FIRST-PRINCIPLES CALCULATIONS; FIRST-PRINCIPLES METHODS; FORMATION ENERGIES; FRENKEL PAIRS; PYROCHLORES; RADIATION RESISTANCES;

ENERGY GAP; ERBIUM; GADOLINIUM; LANTHANUM; LUTETIUM; NEGATIVE IONS; SOLID STATE PHYSICS;

POSITIVE IONS;

EID: 65349135968     PISSN: 08842914     EISSN: None     Source Type: Journal    
DOI: 10.1557/jmr.2009.0152     Document Type: Article

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