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Sulfur-doping of rutile-titanium dioxide by ion implantation; Photocurrent spectroscopy and first-principles band calculation studies

Umebayashi, Tsutomu; Yamaki, Tetsuya; Yamamoto, Shunya; Miyashita, Atsumi; Tanaka, Shigeru; Sumita, Taishi*; Asai, Keisuke*

Sulfur (S)-doped titanium dioxide (TiO$$_{2}$$) was synthesized by ion implantation and subsequent thermal annealing. Compared to the pure TiO$$_{2}$$, a photocurrent was observed in the lower energy regions for the S-doped TiO$$_{2}$$. Based on the theoretical analyses by the first principles band calculations using the full potential linearized augmented plane wave methods within the generalized gradient approximation, the mixing of the S 3p states with the valence band (VB) was found to contribute to the increasing width of the VB. This leads to the bandgap narrowing in the S-doped TiO$$_{2}$$. Therefore, the photon-to-carrier conversion was induced during irradiation by visible light above 420 nm ($$<$$ 2.9 eV).

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Category:Physics, Applied

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