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Publication Detail
Control of the band-gap states of metal oxides by the application of epitaxial strain: The case of indium oxide
  • Publication Type:
    Journal article
  • Publication Sub Type:
    Article
  • Authors:
    Walsh A, Catlow CRA, Zhang KHL, Egdell RG
  • Publisher:
    AMER PHYSICAL SOC
  • Publication date:
    12/04/2011
  • Journal:
    PHYS REV B
  • Volume:
    83
  • Issue:
    16
  • Print ISSN:
    1098-0121
  • Language:
    EN
  • Keywords:
    THIN-FILMS, IN2O3, SEMICONDUCTORS, CONDUCTIVITY, PRESSURE, STRESS
  • Addresses:
    Walsh, A
    UCL
    Dept Chem
    London
    WC1E 6BT
    England
Abstract
We demonstrate that metal oxides exhibit the same relationship between lattice strain and electronic band gap as nonpolar semiconductors. Epitaxial growth of ultrathin [111]-oriented single-crystal indium-oxide films on a mismatched Y-stabilized zirconia substrate reveals a net band-gap decrease, which is dissipated as the film thickness is increased and the epitaxial strain is relieved. Calculation of the band-gap deformation of In2O3, using a hybrid density functional, confirms that, while the uniaxial lattice contraction along [111] results in a band-gap increase due to a raise of the conduction band, the lattice expansion in the (111) plane caused by the substrate mismatch compensates, resulting in a net band-gap decrease. These results have direct implications for tuning the band gaps and transport properties of oxides for application in optoelectronic devices.
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