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 language | English |
|---|---|
| Article number | 161202 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 83 |
| Issue number | 16 |
| DOIs | |
| Publication status | Published - 2011 Apr 12 |
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All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
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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 journal › Article
TY - JOUR
T1 - Control of the band-gap states of metal oxides by the application of epitaxial strain
T2 - The case of indium oxide
AU - Walsh, Aron
AU - Catlow, C. Richard A.
AU - Zhang, K. H.L.
AU - Egdell, Russell G.
PY - 2011/4/12
Y1 - 2011/4/12
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=79961102715&partnerID=8YFLogxK
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U2 - 10.1103/PhysRevB.83.161202
DO - 10.1103/PhysRevB.83.161202
M3 - Article
AN - SCOPUS:79961102715
VL - 83
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 16
M1 - 161202
ER -