Experimental and density-functional study of the electronic structure of In(4)Sn(3)O(12)

D H O'Neil, Aron Walsh, R M J Jacobs, V L Kuznetsov, R G Egdell, P P Edwards

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The electronic structure of In(4)Sn(3)O(12) has been studied by optical and x-ray photoemission spectroscopies and has been compared to electronic structure calculations carried out using density-functional theory. An excellent agreement is found between the experimental valence-band structure and that predicted by the calculations. The valence band derives its dominant character from O 2p states with three distinct features emerging from the hybridization with In and Sn 5s, 5p, and 4d states, respectively. The position of the valence-band edge in the x-ray photoemission spectrum suggests a fundamental electronic gap of 2.7 eV whereas the onset of strong optical absorption is predicted to occur at 3.3 eV.
Original languageEnglish
Article number085110
JournalPhysical Review B
Issue number8
Publication statusPublished - 2010


  • optical-properties
  • indium oxide
  • thin-films
  • semiconductors
  • basis-set
  • wave
  • total-energy calculations
  • transparent conductors
  • sn-doped in2o3
  • x-ray photoemission
  • gap


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