skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Characterization of As-Doped p-Type ZnO by X-ray Absorption Near-Edge Structure Spectroscopy: Theory

Abstract

Vaithianathan et al. [Appl. Phys. Lett. 88, 112103 (2006)] measured x-ray absorption near-edge structure (XANES) of As-doped ZnO and analyzed it as evidence for As{sub o} acceptors. However, upon carrying out first principles calculations, we found that the simulated XANES spectrum for As{sub o} is very different from that observed. Instead, the simulated spectrum for As{sub Zn}-2V{sub Zn} defect complex, which is predicted to be an acceptor [S. Limpijumnong et al., Phys. Rev. Lett. 92, 155504 (2004)], is far more consistent with the XANES data. The combination of our study, with the XANES of Vaithianathan et al. might be, until now, the strongest support for the As{sub Zn}-2V{sub Zn} model.

Authors:
; ;
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
944472
DOE Contract Number:
AC36-99-GO10337
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 89; Journal Issue: 22, 2006; Related Information: Article No. 222113
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ABSORPTION; DEFECTS; SPECTROSCOPY; Basic Sciences

Citation Formats

Limpijumnong, S., Smith, M. F., and Zhang, S. B. Characterization of As-Doped p-Type ZnO by X-ray Absorption Near-Edge Structure Spectroscopy: Theory. United States: N. p., 2006. Web. doi:10.1063/1.2398895.
Limpijumnong, S., Smith, M. F., & Zhang, S. B. Characterization of As-Doped p-Type ZnO by X-ray Absorption Near-Edge Structure Spectroscopy: Theory. United States. doi:10.1063/1.2398895.
Limpijumnong, S., Smith, M. F., and Zhang, S. B. Sun . "Characterization of As-Doped p-Type ZnO by X-ray Absorption Near-Edge Structure Spectroscopy: Theory". United States. doi:10.1063/1.2398895.
@article{osti_944472,
title = {Characterization of As-Doped p-Type ZnO by X-ray Absorption Near-Edge Structure Spectroscopy: Theory},
author = {Limpijumnong, S. and Smith, M. F. and Zhang, S. B.},
abstractNote = {Vaithianathan et al. [Appl. Phys. Lett. 88, 112103 (2006)] measured x-ray absorption near-edge structure (XANES) of As-doped ZnO and analyzed it as evidence for As{sub o} acceptors. However, upon carrying out first principles calculations, we found that the simulated XANES spectrum for As{sub o} is very different from that observed. Instead, the simulated spectrum for As{sub Zn}-2V{sub Zn} defect complex, which is predicted to be an acceptor [S. Limpijumnong et al., Phys. Rev. Lett. 92, 155504 (2004)], is far more consistent with the XANES data. The combination of our study, with the XANES of Vaithianathan et al. might be, until now, the strongest support for the As{sub Zn}-2V{sub Zn} model.},
doi = {10.1063/1.2398895},
journal = {Applied Physics Letters},
number = 22, 2006,
volume = 89,
place = {United States},
year = {Sun Jan 01 00:00:00 EST 2006},
month = {Sun Jan 01 00:00:00 EST 2006}
}