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

Linhart, WM; Rajpalke, MK; Buckeridge, J; Murgatroyd, PAE; Bomphrey, JJ; Alaria, J; Catlow, CRA; ... Veal, TD; + view all (2016) Band gap reduction in InNxSb1-x alloys: Optical absorption, k . P modeling, and density functional theory. Applied Physics Letters , 109 (13) , Article 132104. 10.1063/1.4963836. Green open access

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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.

Type: Article
Title: Band gap reduction in InNxSb1-x alloys: Optical absorption, k . P modeling, and density functional theory
Open access status: An open access version is available from UCL Discovery
DOI: 10.1063/1.4963836
Publisher version: http://dx.doi.org/10.1063/1.4963836
Language: English
Additional information: Copyright © 2016 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
Keywords: Science & Technology, Physical Sciences, Physics, Applied, Physics, Total-energy Calculations, Molecular-beam Epitaxy, Wave Basis-set, Dilute Innxsb1-x, Growth, Semiconductors, Metals, Red
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/1522318
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