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

W. M. Linhart; M. K. Rajpalke; J. Buckeridge; P. A.E. Murgatroyd; J. J. Bomphrey; J. Alaria; C. R.A. Catlow; D. O. Scanlon; M. J. Ashwin; T. D. Veal

doi:10.1063/1.4963836

Band gap reduction in InN_xSb_1-x alloys: Optical absorption, k · P modeling, and density functional theory

W. M. Linhart, M. K. Rajpalke, J. Buckeridge, P. A.E. Murgatroyd, J. J. Bomphrey, J. Alaria, C. R.A. Catlow, D. O. Scanlon, M. J. Ashwin, T. D. Veal

Chemistry

Research output: Contribution to journal › Article › peer-review

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, E_N, 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.

Original language	English
Article number	132104
Journal	Applied Physics Letters
Volume	109
Issue number	13
DOIs	https://doi.org/10.1063/1.4963836
Publication status	Published - 26 Sept 2016

Bibliographical note

Funding Information:
The experimental work was supported by the Engineering and Physical Sciences Research Council (EPSRC) under Grant No. EP/G004447/2. W.M.L. acknowledges support from the National Science Center (NCN) Grant No. 2014/13/D/ST3/01947. D.O.S. and T.D.V. acknowledge support from the Materials Design Network. J.B. and C.R.A.C. acknowledge funding from the EPSRC Grant No. EP/K016288/1. The hybrid DFT was performed on the national supercomputer ARCHER via funding from the EPSRC Grant No. EP/L000202/1.

Publisher Copyright:
© 2016 Author(s).

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

Access to Document

10.1063/1.4963836

Cite this

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

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.",

author = "Linhart, {W. M.} and Rajpalke, {M. K.} and J. Buckeridge and Murgatroyd, {P. A.E.} and Bomphrey, {J. J.} and J. Alaria and Catlow, {C. R.A.} and Scanlon, {D. O.} and Ashwin, {M. J.} and Veal, {T. D.}",

note = "Funding Information: The experimental work was supported by the Engineering and Physical Sciences Research Council (EPSRC) under Grant No. EP/G004447/2. W.M.L. acknowledges support from the National Science Center (NCN) Grant No. 2014/13/D/ST3/01947. D.O.S. and T.D.V. acknowledge support from the Materials Design Network. J.B. and C.R.A.C. acknowledge funding from the EPSRC Grant No. EP/K016288/1. The hybrid DFT was performed on the national supercomputer ARCHER via funding from the EPSRC Grant No. EP/L000202/1. Publisher Copyright: {\textcopyright} 2016 Author(s).",

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AU - Rajpalke, M. K.

AU - Buckeridge, J.

AU - Murgatroyd, P. A.E.

AU - Bomphrey, J. J.

AU - Alaria, J.

AU - Catlow, C. R.A.

AU - Scanlon, D. O.

AU - Ashwin, M. J.

AU - Veal, T. D.

N1 - Funding Information: The experimental work was supported by the Engineering and Physical Sciences Research Council (EPSRC) under Grant No. EP/G004447/2. W.M.L. acknowledges support from the National Science Center (NCN) Grant No. 2014/13/D/ST3/01947. D.O.S. and T.D.V. acknowledge support from the Materials Design Network. J.B. and C.R.A.C. acknowledge funding from the EPSRC Grant No. EP/K016288/1. The hybrid DFT was performed on the national supercomputer ARCHER via funding from the EPSRC Grant No. EP/L000202/1. Publisher Copyright: © 2016 Author(s).

PY - 2016/9/26

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