Theoretical investigation of structural, energetic and electronic properties of titanate pyrochlores

Journal of Physics Condensed Matter

Volumn 19, Issue 34, 2007, Pages

  Xiao, H Y ^a,b   Wang, L M ^b   Zu, X T ^a   Lian, Jie ^b   Ewing, Rodney C ^b  

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

^b UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHIZATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; POSITIVE IONS;

ANTISITE DEFECTS; CATION ANTISITE FORMATION ENERGY; TITANATE PYROCHLORES;

TITANIUM COMPOUNDS;

EID: 34547324237     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/19/34/346203     Document Type: Article

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