Ab initio electronic structure calculation of oxygen vacancies in rutile titanium dioxide

Solid State Ionics

Volumn 178, Issue 5-6, 2007, Pages 319-325

  Hossain, Faruque M ^a,b   Murch, G E ^a   Sheppard, L ^b   Nowotny, J ^b  

^a UNIVERSITY OF NEWCASTLE   (Australia)

^b UNIVERSITY OF NEW SOUTH WALES   (Australia)

Author keywords

Electronic structure; Nonstoichiometry; Point defects; Titanium dioxide

Indexed keywords

BAND STRUCTURE; CONCENTRATION (PROCESS); DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; STOICHIOMETRY; TITANIUM DIOXIDE;

CONDUCTION BAND; ENERGY REGION; NONSTOICHIOMETRY;

OXYGEN VACANCIES;

EID: 33947289494     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2006.12.015     Document Type: Article

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