Journal
CHEMICAL PHYSICS LETTERS
Volume 403, Issue 1-3, Pages 124-128Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2004.12.110
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Surface trapped hole centers have been generated by X-ray irradiation on an O-17 isotope enriched MgO sample. The resulting EPR spectrum allowed us to determine for the first time the complete O-17(-) hyperfine tensor (A = [18.6, 18.6, -104.8] G). Comparison of the measured data with those obtained by embedded cluster density functional theory calculations allows to identify the hole trapping center with three-coordinated oxide anions localized at MgO corners. (C) 2005 Elsevier B.V. All rights reserved.
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