The 17O hyperfine structure of trapped holes photo generated at the surface of polycrystalline MgO

被引：27
|
作者：
Chiesa, M
Giamello, E
Di Valentin, C
Pacchioni, G
机构：
[1] Univ Milan, Dipartimento Sci Mat, I-20125 Milan, Italy
[2] Univ Turin, Dipartimento Chim, IFM, NIS,Ctr Excellence, I-10125 Turin, Italy
[3] Univ Milan, Dipartimento Sci Mat, I-20125 Milan, Italy
来源：
CHEMICAL PHYSICS LETTERS | 2005年 / 403卷 / 1-3期
关键词：
D O I：
10.1016/j.cplett.2004.12.110
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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.
引用
收藏
页码：124 / 128
页数：5
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