articleTop 10% cited
Band-Gap Narrowing of Titanium Dioxide by Nitrogen Doping
Japanese Journal of Applied Physics · 2001 · Vol. 40(6A) · pp. L561–L561
Takeshi Morikawa✉(Toyota Central Research and Development Laboratories (Japan))Ryoji Asahi(Toyota Central Research and Development Laboratories (Japan))Takeshi Ohwaki(Toyota Central Research and Development Laboratories (Japan))Koyu Aoki(Toyota Central Research and Development Laboratories (Japan))Yasunori Taga(Toyota Central Research and Development Laboratories (Japan))
Abstract
TiO 2 -based powder, including 0.1 at% of N doped in the rutile lattice, has been synthesized by oxidation of TiN. As a result, a significant shift of the absorption edge to a lower energy in the visible-light region has been observed. The substitutional doping of N into the TiO 2 lattice is found to be effective; its 2 p states contribute to the band-gap narrowing by mixing with O 2 p as shown in ab initio electronic structure calculations.
Electronic and Structural Properties of OxidesZnO doping and propertiesChalcogenide Semiconductor Thin FilmsRutileDopingBand gapTin dioxideMaterials scienceLattice (music)Absorption edgeTitanium dioxideAb initioTin
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References
Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>molecule
Physical review. B, Condensed matter · 1981 · 2,110 citations
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