First-principles band calculation of TiO2 with brookite structure

Electrochemistry

Volumn 72, Issue 10, 2004, Pages 694-696

  Matsushima, Shigenori ^a   Obata, Kenji ^a   Yamane, Hirokazu ^a   Yamada, Kenji ^a   Nakamura, Hiroyuki ^a   Arai, Masao ^b   Kobayashi, Kenkichiro ^c  

^a KITAKYUSHU NATIONAL COLLEGE OF TECHNOLOGY   (Japan)

^b NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^c SHIZUOKA UNIVERSITY   (Japan)

Author keywords

Brookite; DFT; Energy Band Calculation; FLAPW; TiO2

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; ELECTRONIC STRUCTURE; FUNCTIONS; LATTICE CONSTANTS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

BROOKITE; ENERGY BAND CALCULATION; FULL-POTENTIAL LINEARLIZED AUGMENTED PLANE WAVE (FLAPW); VALENCE BAND;

TITANIUM OXIDES;

EID: 9944242753     PISSN: 13443542     EISSN: None     Source Type: Journal    
DOI: 10.5796/electrochemistry.72.694     Document Type: Article

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