Band gap reduction in InNxSb1-x alloys: Optical absorption, k · P modeling, and density functional theory

Journal article

Linhart, W.M., Rajpalke, M.K., Buckeridge, J., Murgatroyd, P.A.E., Bomphrey, J.J., Alaria, J., Catlow, C.R.A., Scanlon, D.O., Ashwin, M.J. and Veal, T.D. (2016). Band gap reduction in InNxSb1-x alloys: Optical absorption, k · P modeling, and density functional theory . Applied Physics Letters. 109, p. 132104. https://doi.org/10.1063/1.4963836
AuthorsLinhart, W.M., Rajpalke, M.K., Buckeridge, J., Murgatroyd, P.A.E., Bomphrey, J.J., Alaria, J., Catlow, C.R.A., Scanlon, D.O., Ashwin, M.J. and Veal, T.D.
Abstract

Using infrared absorption, the room temperature band gap of InSb is found to reduce from 174 (7.1 μm) to 85 meV (14.6 μm) upon incorporation of up to 1.13% N, a reduction of ∼79 meV/%N. The experimentally observed band gap reduction in molecular-beam epitaxial InNSb thin films is reproduced by a five band k · P band anticrossing model incorporating a nitrogen level, EN, 0.75 eV above the valence band maximum of the host InSb and an interaction coupling matrix element between the host conduction band and the N level of β = 1.80 eV. This observation is consistent with the presented results from hybrid density functional theory.

Year2016
JournalApplied Physics Letters
Journal citation109, p. 132104
PublisherAIP
Digital Object Identifier (DOI)https://doi.org/10.1063/1.4963836
Web address (URL)https://aip.scitation.org/doi/full/10.1063/1.4963836
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Print29 Sep 2016
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Accepted01 Sep 2016
Deposited23 Oct 2019
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Buckeridge et al. Reply:
Buckeridge, J., Catlow, C. R. A., Scanlon, D. O., Keal, T. W., Sherwood, P., Miskufova, M., Walsh, A., Woodley, S. M. and Sokol, A. A. (2015). Buckeridge et al. Reply: Physical Review Letters. 115 (2), p. 029702. https://doi.org/10.1103/PhysRevLett.115.029702
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