Compensation in Al-Doped ZnO by Al-Related Acceptor Complexes: Synchrotron X-Ray Absorption Spectroscopy and Theory

J. T-Thienprasert; S. Rujirawat; W. Klysubun; J. N. Duenow; T. J. Coutts; S. B. Zhang; D. C. Look; S. Limpijumnong

doi:10.1103/PhysRevLett.110.055502

Compensation in Al-Doped ZnO by Al-Related Acceptor Complexes: Synchrotron X-Ray Absorption Spectroscopy and Theory

J. T-Thienprasert
, S. Rujirawat
, W. Klysubun
, J. N. Duenow
, T. J. Coutts
, S. B. Zhang
, D. C. Look
, S. Limpijumnong

Materials Science

Kasetsart University
Ministry of Higher Education, Science, Research and Innovation
Suranaree University of Technology
Synchrotron Light Research Institute
National Renewable Energy Laboratory
Rensselaer Polytechnic Institute
Wright State University

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

105 Scopus Citations

Abstract

The synchrotron x-ray absorption near edge structures (XANES) technique was used in conjunction with first-principles calculations to characterize Al-doped ZnO films. Standard characterizations revealed that the amount of carrier concentration and mobility depend on the growth conditions, i.e. H₂ (or O₂)/Ar gas ratio and Al concentration. First-principles calculations showed that Al energetically prefers to substitute on the Zn site, forming a donor Al_Zn, over being an interstitial (Al_i). The measured Al K-edge XANES spectra are in good agreement with the simulated spectra of Al_Zn, indicating that the majority of Al atoms are substituting for Zn. The reduction in carrier concentration or mobility in some samples can be attributed to the Al_Zn-V_Zn and 2Al _Zn-V_Zn complex formations that have similar XANES features. In addition, XANES of some samples showed additional features that are the indication of some α-Al₂O₃ or nAl _Zn-O_i formation, explaining their poorer conductivity.

Original language	American English
Article number	Article No. 055502
Number of pages	5
Journal	Physical Review Letters
Volume	110
Issue number	5
DOIs	https://doi.org/10.1103/PhysRevLett.110.055502 https://doi.org/10.1103/PhysRevLett.110.055502
State	Published - 28 Jan 2013

NLR Publication Number

NREL/JA-5200-58142

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T-Thienprasert, J., Rujirawat, S., Klysubun, W., Duenow, J. N., Coutts, T. J., Zhang, S. B., Look, D. C., & Limpijumnong, S. (2013). Compensation in Al-Doped ZnO by Al-Related Acceptor Complexes: Synchrotron X-Ray Absorption Spectroscopy and Theory. Physical Review Letters, 110(5), Article Article No. 055502. https://doi.org/10.1103/PhysRevLett.110.055502, https://doi.org/10.1103/PhysRevLett.110.055502

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title = "Compensation in Al-Doped ZnO by Al-Related Acceptor Complexes: Synchrotron X-Ray Absorption Spectroscopy and Theory",

abstract = "The synchrotron x-ray absorption near edge structures (XANES) technique was used in conjunction with first-principles calculations to characterize Al-doped ZnO films. Standard characterizations revealed that the amount of carrier concentration and mobility depend on the growth conditions, i.e. H2 (or O2)/Ar gas ratio and Al concentration. First-principles calculations showed that Al energetically prefers to substitute on the Zn site, forming a donor AlZn, over being an interstitial (Ali). The measured Al K-edge XANES spectra are in good agreement with the simulated spectra of AlZn, indicating that the majority of Al atoms are substituting for Zn. The reduction in carrier concentration or mobility in some samples can be attributed to the AlZn-VZn and 2Al Zn-VZn complex formations that have similar XANES features. In addition, XANES of some samples showed additional features that are the indication of some α-Al2O3 or nAl Zn-Oi formation, explaining their poorer conductivity.",

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T-Thienprasert, J, Rujirawat, S, Klysubun, W, Duenow, JN, Coutts, TJ, Zhang, SB, Look, DC & Limpijumnong, S 2013, 'Compensation in Al-Doped ZnO by Al-Related Acceptor Complexes: Synchrotron X-Ray Absorption Spectroscopy and Theory', Physical Review Letters, vol. 110, no. 5, Article No. 055502. https://doi.org/10.1103/PhysRevLett.110.055502, https://doi.org/10.1103/PhysRevLett.110.055502

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AU - T-Thienprasert, J.

AU - Rujirawat, S.

AU - Klysubun, W.

AU - Duenow, J. N.

AU - Coutts, T. J.

AU - Zhang, S. B.

AU - Look, D. C.

AU - Limpijumnong, S.

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N2 - The synchrotron x-ray absorption near edge structures (XANES) technique was used in conjunction with first-principles calculations to characterize Al-doped ZnO films. Standard characterizations revealed that the amount of carrier concentration and mobility depend on the growth conditions, i.e. H2 (or O2)/Ar gas ratio and Al concentration. First-principles calculations showed that Al energetically prefers to substitute on the Zn site, forming a donor AlZn, over being an interstitial (Ali). The measured Al K-edge XANES spectra are in good agreement with the simulated spectra of AlZn, indicating that the majority of Al atoms are substituting for Zn. The reduction in carrier concentration or mobility in some samples can be attributed to the AlZn-VZn and 2Al Zn-VZn complex formations that have similar XANES features. In addition, XANES of some samples showed additional features that are the indication of some α-Al2O3 or nAl Zn-Oi formation, explaining their poorer conductivity.

AB - The synchrotron x-ray absorption near edge structures (XANES) technique was used in conjunction with first-principles calculations to characterize Al-doped ZnO films. Standard characterizations revealed that the amount of carrier concentration and mobility depend on the growth conditions, i.e. H2 (or O2)/Ar gas ratio and Al concentration. First-principles calculations showed that Al energetically prefers to substitute on the Zn site, forming a donor AlZn, over being an interstitial (Ali). The measured Al K-edge XANES spectra are in good agreement with the simulated spectra of AlZn, indicating that the majority of Al atoms are substituting for Zn. The reduction in carrier concentration or mobility in some samples can be attributed to the AlZn-VZn and 2Al Zn-VZn complex formations that have similar XANES features. In addition, XANES of some samples showed additional features that are the indication of some α-Al2O3 or nAl Zn-Oi formation, explaining their poorer conductivity.

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Compensation in Al-Doped ZnO by Al-Related Acceptor Complexes: Synchrotron X-Ray Absorption Spectroscopy and Theory

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