中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Investigations of the electron paramagnetic resonance parameters and defect structures for Ni(2+) ions in CdX(2) (X = Cl, Br) crystals

文献类型:期刊论文

作者W. Fang ; X. X. Wu ; W. C. Zheng
刊名Journal of Magnetism and Magnetic Materials
出版日期2008
卷号320期号:21页码:2784-2787
关键词electron paramagnetic resonance (EPR) crystal- and ligand-field theory charge-transfer mechanism defect structure Ni(2+) CdCl(2) CdBr(2) atomic screening constants single-crystals local-structure scf functions spectra transition cadmium cdcl2 epr
ISSN号0304-8853
中文摘要The high-order perturbation formulas of electron paramagnetic resonance (EPR) parameters (g factors g(parallel to), g(perpendicular to) and zero-field splitting D) for 3d(8) ions in trigonal octahedral clusters are established. These formulas contain the contributions not only from the crystal-field (CF) mechanism, but also from the charge-transfer (CT) mechanism (which is not considered in the widely used CF theory). From these formulas, the EPR parameters and the impurity-induced defect structures for Ni(2+) ions in CdX(2) (X = Cl, Br) crystals are studied. The calculated EPR parameters are coincident with the experimental values, and the defect structure of Ni(2+) impurity center obtained from the calculation is different from the corresponding structure in the host crystal. The sign of Q(CT) (Q = Delta g(parallel to), Delta g(perpendicular to), or D) due to CT mechanism agrees with that of the corresponding Q(CF) due to CF mechanism and the relative importance of CT mechanism (characterized by Q(CT)/Q(CF)) increases with increasing covalence of 3d(8) clusters and hence with raising atomic number of ligand X. So, in the explanations of the EPR parameters of 3d(8) (or other 3d(n)) ions in crystals with the heavy-element ligand ion (e. g., Br(-)), the calculated formulas based on the two-mechanism (CF and CT mechanisms) model are preferable to those based on only the CF mechanism in the CF theory. (C) 2008 Elsevier B. V. All rights reserved.
原文出处://WOS:000258395400043
公开日期2012-04-13
源URL[http://210.72.142.130/handle/321006/32742]  
专题金属研究所_中国科学院金属研究所
推荐引用方式
GB/T 7714
W. Fang,X. X. Wu,W. C. Zheng. Investigations of the electron paramagnetic resonance parameters and defect structures for Ni(2+) ions in CdX(2) (X = Cl, Br) crystals[J]. Journal of Magnetism and Magnetic Materials,2008,320(21):2784-2787.
APA W. Fang,X. X. Wu,&W. C. Zheng.(2008).Investigations of the electron paramagnetic resonance parameters and defect structures for Ni(2+) ions in CdX(2) (X = Cl, Br) crystals.Journal of Magnetism and Magnetic Materials,320(21),2784-2787.
MLA W. Fang,et al."Investigations of the electron paramagnetic resonance parameters and defect structures for Ni(2+) ions in CdX(2) (X = Cl, Br) crystals".Journal of Magnetism and Magnetic Materials 320.21(2008):2784-2787.

入库方式: OAI收割

来源:金属研究所

浏览0
下载0
收藏0
其他版本

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。