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Electronic Band Structure of Transparent Conductor: Nb-Doped Anatase TiO 2

2008; Institute of Physics; Volume: 1; Linguagem: Inglês

10.1143/apex.1.111203

1882-0786

Taro Hitosugi, Hideyuki Kamisaka, Koichi Yamashita, Hiroyuki Nogawa, Yutaka Furubayashi, Shoichiro Nakao, Naoomi Yamada, Akira Chikamatsu, Hiroshi Kumigashira, Masaharu Oshima, Yasushi Hirose, Toshihiro Shimada, Tetsuya Hasegawa,

Gas Sensing Nanomaterials and Sensors

We have investigated electronic band structure of a transparent conducting oxide, Nb-doped anatase TiO2 (TNO), by means of first-principles band calculations and photoemission measurements. The band calculations revealed that Nb 4d orbitals are strongly hybridized with Ti 3d ones to form a d-nature conduction band, without impurity states in the in-gap region, resulting in high carrier density exceeding 1021 cm-3 and excellent optical transparency in the visible region. Furthermore, we confirmed that the results of valence band and core-level photoemission measurements are consistent with prediction by the present band calculations.