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

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Linhart, W. M., Rajpalke, M. K., Buckeridge, John, Murgatroyd, P. A. E., Bomphrey, John James, Alaria, J., Catlow, C. R. A., Scanlon, D. O., Ashwin, M. J. and Veal, T. D. (Tim D.) (2016) Band gap reduction in InNxSb1-x alloys : optical absorption, k · P modeling, and density functional theory. Applied Physics Letters, 109 (13). 132104. doi:10.1063/1.4963836 ISSN 0003-6951.

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Official URL: http://dx.doi.org/10.1063/1.4963836

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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.

Item Type: Journal Article
Subjects: Q Science > QC Physics
T Technology > TS Manufactures
Divisions: Faculty of Science, Engineering and Medicine > Science > Chemistry
Faculty of Science, Engineering and Medicine > Science > Physics
Library of Congress Subject Headings (LCSH): Alloys, Wide gap semiconductors, Conduction band, Nitrogen
Journal or Publication Title: Applied Physics Letters
Publisher: American Institute of Physics
ISSN: 0003-6951
Official Date: 29 September 2016
Dates:
DateEvent
29 September 2016Published
19 October 2016Available
19 September 2016Accepted
29 April 2016Submitted
Volume: 109
Number: 13
Article Number: 132104
DOI: 10.1063/1.4963836
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Open Access (Creative Commons)
Date of first compliant deposit: 13 October 2016
Date of first compliant Open Access: 13 October 2016
Funder: Engineering and Physical Sciences Research Council (EPSRC), Narodowe Centrum Nauki (NCN), Innovate UK
Grant number: EP/G004447/2, P/K016288/1, EP/L000202/1 (EPSRC), 014/13/D/ST3/ 01947 (NCN)
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