4.5 Article

Electronic Band Structure of Transparent Conductor: Nb-Doped Anatase TiO2

Journal

APPLIED PHYSICS EXPRESS
Volume 1, Issue 11, Pages -

Publisher

IOP Publishing Ltd
DOI: 10.1143/APEX.1.111203

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Funding

  1. Ministry of Education, Culture, Sports, Science and Technology (MEXT)
  2. Elements Science and Technology Project
  3. New Energy and Industrial Technology Development Organization (NEDO)
  4. Chemistry Innovation
  5. Grant-in-Aid for Young Scientists (B)

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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 10(21) 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. (C) 2008 The Japan Society of Applied Physics

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