We have investigated electronic band structure of a transparent conducting oxide, Nb-doped anatase TiO2 (TNO), by means of firstprinciples band calculations and photoemission measurements. The band calculations revealed that Nb 4d orbitais 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 corelevel photoemission measurements are consistent with prediction by the present band calculations.
ASJC Scopus subject areas
- Physics and Astronomy(all)