Control of the band-gap states of metal oxides by the application of epitaxial strain: The case of indium oxide

Aron Walsh, C. Richard A. Catlow, K. H.L. Zhang, Russell G. Egdell

Research output: Contribution to journalArticle

30 Citations (Scopus)

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 In2O 3, 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.

Original languageEnglish
Article number161202
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume83
Issue number16
DOIs
Publication statusPublished - 2011 Apr 12

Fingerprint

indium oxides
Indium
Oxides
metal oxides
Energy gap
Metals
Electron transport properties
Substrates
optoelectronic devices
Conduction bands
Epitaxial growth
zirconium oxides
Crystal lattices
Zirconia
Optoelectronic devices
Oxide films
contraction
Film thickness
oxide films
indium oxide

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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Control of the band-gap states of metal oxides by the application of epitaxial strain : The case of indium oxide. / Walsh, Aron; Catlow, C. Richard A.; Zhang, K. H.L.; Egdell, Russell G.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 83, No. 16, 161202, 12.04.2011.

Research output: Contribution to journalArticle

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