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Characterization of As-doped, p-type ZnO by x-ray absorption near-edge structure spectroscopy: Theory

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3 Author(s)
Limpijumnong, Sukit ; National Synchrotron Research Center, Nakhon Ratchasima 30000, Thailand and School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000, Thailand ; Smith, M.F. ; Zhang, S.B.

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

Published in:
Applied Physics Letters  (Volume:89 ,  Issue: 22 )

Date of Publication: Nov 2006

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