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Band bowing and band alignment in InGaN alloys
Abstract
We use density functional theory calculations with the HSE06 hybrid exchange-correlation functional to investigate InGaN alloys and accurately determine band gaps and band alignments. We find a strong band-gap bowing at low In content. Band positions on an absolute energy scale are determined from surface calculations. The resulting GaN/InN valence-band offset is 0.62 eV. The dependence of InGaN valence-band alignment on In content is found to be almost linear. Based on the values of band gaps and band alignments, we conclude that InGaN fulfills the requirements for a photoelectrochemical electrode for In contents up to 50%.
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Cited by
Kibria, M. G., Zhao, S., Chowdhury, F. A., Wang, Q., Nguyen, H. P. T., Trudeau, M. L., Guo, H., & Mi, Z. (2014) · Nature Communications · doi:10.1038/ncomms4825 · Cited by 287
Pela, R. R., Hsiao, C.-L., Hultman, L., Birch, J., & Gueorguiev, G. K. (2024) · Physical Chemistry Chemical Physics · doi:10.1039/d3cp05295h · Cited by 75
Metadata
- Authors
- Moses, P. G., & Van de Walle, C. G.
- Venue
- Applied Physics Letters
- Publisher
- AIP Publishing
- Published
- 2010-01-11
- Volume
- 96
- Issue
- 2
- ISSN
- 0003-6951 (ISSN-L)
- 1077-3118
- OpenAlex
- W2015976204
- Cited by
- 362
- References
- 0
- FWCI
- 19.53
- Type
- journal article
- Language
- en
- Open access
- closed
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- Moses, P. G., & Van de Walle, C. G. (2010). Band bowing and band alignment in InGaN alloys. Applied Physics Letters. https://doi.org/10.1063/1.3291055
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