Nitrogen defect levels in InN: XANES study

Alexander V. Soldatov; Alexander Guda; Antonina Kravtsova; M. Petravic; P. N.K. Deenapanray; M. D. Fraser; Y. W. Yang; P. A. Anderson; S. M. Durbin

doi:10.1016/j.radphyschem.2005.07.021

Nitrogen defect levels in InN: XANES study

Alexander V. Soldatov^*, Alexander Guda, Antonina Kravtsova, M. Petravic, P. N.K. Deenapanray, M. D. Fraser, Y. W. Yang, P. A. Anderson, S. M. Durbin

^*Corresponding author for this work

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

2 Citations (Scopus)

Abstract

The local and electronic structure of nitrogen-related defects in thin film of InN (0 0 0 1) has been studied using synchrotron-based X-ray absorption near edge structure (XANES) spectroscopy. Several defect levels within the band gap and the conduction band of InN were clearly resolved in XANES spectra around the nitrogen K-edge. Theoretical analysis of XANES data includes advanced "ab initio" simulations: self-consistent full multiple scattering calculations using muffin-tin approximation, non-muffin-tin finite difference approach to study the influence of non-muffin-tin effects on XANES shape as well as advanced local density approximation scheme for optimization of initial geometry around nitrogen defects. Theoretical analysis of XANES data allows to attribute the level observed at 1.7 eV above the conduction band mimimum to antisite nitrogen and a sharp resonance at 3.2 eV above the conduction band minimum to molecular nitrogen.

Original language	English
Pages (from-to)	1635-1637
Number of pages	3
Journal	Radiation Physics and Chemistry
Volume	75
Issue number	11 SPEC. ISS.
DOIs	https://doi.org/10.1016/j.radphyschem.2005.07.021
Publication status	Published - Nov 2006

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10.1016/j.radphyschem.2005.07.021

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title = "Nitrogen defect levels in InN: XANES study",

abstract = "The local and electronic structure of nitrogen-related defects in thin film of InN (0 0 0 1) has been studied using synchrotron-based X-ray absorption near edge structure (XANES) spectroscopy. Several defect levels within the band gap and the conduction band of InN were clearly resolved in XANES spectra around the nitrogen K-edge. Theoretical analysis of XANES data includes advanced {"}ab initio{"} simulations: self-consistent full multiple scattering calculations using muffin-tin approximation, non-muffin-tin finite difference approach to study the influence of non-muffin-tin effects on XANES shape as well as advanced local density approximation scheme for optimization of initial geometry around nitrogen defects. Theoretical analysis of XANES data allows to attribute the level observed at 1.7 eV above the conduction band mimimum to antisite nitrogen and a sharp resonance at 3.2 eV above the conduction band minimum to molecular nitrogen.",

keywords = "Defects, InN, XANES",

author = "Soldatov, {Alexander V.} and Alexander Guda and Antonina Kravtsova and M. Petravic and Deenapanray, {P. N.K.} and Fraser, {M. D.} and Yang, {Y. W.} and Anderson, {P. A.} and Durbin, {S. M.}",

year = "2006",

month = nov,

doi = "10.1016/j.radphyschem.2005.07.021",

language = "English",

volume = "75",

pages = "1635--1637",

journal = "Radiation Physics and Chemistry",

issn = "0969-806X",

publisher = "Elsevier Ltd.",

number = "11 SPEC. ISS.",

}

TY - JOUR

T1 - Nitrogen defect levels in InN: XANES study

AU - Soldatov, Alexander V.

AU - Guda, Alexander

AU - Kravtsova, Antonina

AU - Petravic, M.

AU - Deenapanray, P. N.K.

AU - Fraser, M. D.

AU - Yang, Y. W.

AU - Anderson, P. A.

AU - Durbin, S. M.

PY - 2006/11

Y1 - 2006/11

N2 - The local and electronic structure of nitrogen-related defects in thin film of InN (0 0 0 1) has been studied using synchrotron-based X-ray absorption near edge structure (XANES) spectroscopy. Several defect levels within the band gap and the conduction band of InN were clearly resolved in XANES spectra around the nitrogen K-edge. Theoretical analysis of XANES data includes advanced "ab initio" simulations: self-consistent full multiple scattering calculations using muffin-tin approximation, non-muffin-tin finite difference approach to study the influence of non-muffin-tin effects on XANES shape as well as advanced local density approximation scheme for optimization of initial geometry around nitrogen defects. Theoretical analysis of XANES data allows to attribute the level observed at 1.7 eV above the conduction band mimimum to antisite nitrogen and a sharp resonance at 3.2 eV above the conduction band minimum to molecular nitrogen.

AB - The local and electronic structure of nitrogen-related defects in thin film of InN (0 0 0 1) has been studied using synchrotron-based X-ray absorption near edge structure (XANES) spectroscopy. Several defect levels within the band gap and the conduction band of InN were clearly resolved in XANES spectra around the nitrogen K-edge. Theoretical analysis of XANES data includes advanced "ab initio" simulations: self-consistent full multiple scattering calculations using muffin-tin approximation, non-muffin-tin finite difference approach to study the influence of non-muffin-tin effects on XANES shape as well as advanced local density approximation scheme for optimization of initial geometry around nitrogen defects. Theoretical analysis of XANES data allows to attribute the level observed at 1.7 eV above the conduction band mimimum to antisite nitrogen and a sharp resonance at 3.2 eV above the conduction band minimum to molecular nitrogen.

KW - Defects

KW - InN

KW - XANES

UR - http://www.scopus.com/inward/record.url?scp=33750169200&partnerID=8YFLogxK

U2 - 10.1016/j.radphyschem.2005.07.021

DO - 10.1016/j.radphyschem.2005.07.021

M3 - Article

SN - 0969-806X

VL - 75

SP - 1635

EP - 1637

JO - Radiation Physics and Chemistry

JF - Radiation Physics and Chemistry

IS - 11 SPEC. ISS.

ER -

Nitrogen defect levels in InN: XANES study

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