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Band gap, electronic structure, and surface electron accumulation of cubic and rhombohedral In2O3
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King, P. D. C., Veal, T. D. (Tim D.), Fuchs, F., Wang, Ch. Y., Payne, D. J., Bourlange, A., Zhang, H., Bell, Gavin R., Cimalla, V., Ambacher, O., Egdell, R. G., Bechstedt, Friedhelm and McConville, C. F. (Chris F.) (2009) Band gap, electronic structure, and surface electron accumulation of cubic and rhombohedral In2O3. Physical Review B (Condensed Matter and Materials Physics), Vol.79 (No.20). pp. 205211-1. doi:10.1103/PhysRevB.79.205211 ISSN 1098-0121.
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Official URL: http://dx.doi.org/10.1103/PhysRevB.79.205211
Abstract
The bulk and surface electronic structure of In2O3 has proved controversial, prompting the current combined experimental and theoretical investigation. The band gap of single-crystalline In2O3 is determined as 2.93 +/- 0.15 and 3.02 +/- 0.15 eV for the cubic bixbyite and rhombohedral polymorphs, respectively. The valence-band density of states is investigated from x-ray photoemission spectroscopy measurements and density-functional theory calculations. These show excellent agreement, supporting the absence of any significant indirect nature of the In2O3 band gap. Clear experimental evidence for an s-d coupling between In 4d and O 2s derived states is also observed. Electron accumulation, recently reported at the (001) surface of bixbyite material, is also shown to be present at the bixbyite (111) surface and the (0001) surface of rhombohedral In2O3.
| Item Type: | Journal Article | ||||
|---|---|---|---|---|---|
| Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||
| Library of Congress Subject Headings (LCSH): | Density functionals, Energy gap (Physics), Indium compounds, Surface (Physics), X-ray photoelectron spectroscopy | ||||
| Journal or Publication Title: | Physical Review B (Condensed Matter and Materials Physics) | ||||
| Publisher: | American Physical Society | ||||
| ISSN: | 1098-0121 | ||||
| Official Date: | May 2009 | ||||
| Dates: |
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| Volume: | Vol.79 | ||||
| Number: | No.20 | ||||
| Number of Pages: | 10 | ||||
| Page Range: | pp. 205211-1 | ||||
| DOI: | 10.1103/PhysRevB.79.205211 | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published | ||||
| Funder: | Engineering and Physical Sciences Research Council (EPSRC), Deutsche Forschungsgemeinschaft (DFG), Germany. Bundesministerium fΓΌr Bildung und Forschung (BMBF) | ||||
| Grant number: | EP/E031595/1 (EPSRC), EP/G004447/1 (EPSRC), GR/S94148 (EPSRC), EP/E025722/1 (EPSRC), Be1346/20-1 (DFG), 13N9669 (BMBF) |
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