First-principles calculations on TiO2 doped by N, Nd, and vacancy

Solid State Communications

Volumn 136, Issue 3, 2005, Pages 186-189

  Wang, Y ^a   Doren, D J ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

A. TiO2; D. Electronic band structure; E. FP LAPW

Indexed keywords

ELECTRONIC STRUCTURE; GROUND STATE; NEODYMIUM; NITROGEN; PROBABILITY DENSITY FUNCTION; SEMICONDUCTOR DOPING;

BAND-GAP REGION; ELECTRONIC BAND STRUCTURE; FP-LAPW; LOCAL DENSITY APPROXIMATION (LDA);

TITANIUM DIOXIDE;

EID: 27544469854     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2005.05.042     Document Type: Article

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