La-doped BaSnO3—Degenerate perovskite transparent conducting oxide: Evidence from synchrotron x-ray spectroscopy

  • S. Sallis
    Materials Science and Engineering, Binghamton University 1 , Binghamton, New York 13902, USA
  • D. O. Scanlon
    Kathleen Lonsdale Materials Chemistry, Department of Chemistry, University College London 2 , 20 Gordon Street, London WC1H 0AJ, United Kingdom
  • S. C. Chae
    Rutgers Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University 3 , Piscataway, New Jersey 08854, USA
  • N. F. Quackenbush
    Department of Physics, Applied Physics and Astronomy, Binghamton University 4 , Binghamton, New York 13902, USA
  • D. A. Fischer
    Materials Science and Engineering Laboratory, National Institute of Standards and Technology 5 , Gaithersburg, Maryland 20899, USA
  • J. C. Woicik
    Materials Science and Engineering Laboratory, National Institute of Standards and Technology 5 , Gaithersburg, Maryland 20899, USA
  • J.-H. Guo
    Advanced Light Source, Lawrence Berkeley National Laboratory 6 , Berkeley, California 94720, USA
  • S. W. Cheong
    Rutgers Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University 3 , Piscataway, New Jersey 08854, USA
  • L. F. J. Piper
    Materials Science and Engineering, Binghamton University 1 , Binghamton, New York 13902, USA

説明

<jats:p>We report direct evidence of conduction band filling in 3% La-doped BaSnO3 using hard x-ray photoelectron spectroscopy. Direct comparisons with hybrid density functional theory calculations support a 3.2 eV indirect band gap. The use of hybrid DFT is verified by excellent agreement between our photoelectron spectra and O K-edge x-ray emission and absorption spectra. Our experimental and computational results demonstrate that the conduction band is primarily of Sn 5s orbital character with little O 2p contribution, which is a prerequisite for designing a perovskite-based transparent conducting oxide.</jats:p>

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