The local structural parameters for the tetragonal Cr3+-V-M and V-M-Cr3+-V-M centers in AgCl:Cr3+ crystals have been estimated by calculating their EPR zero-held splitting and g factors from two theoretical models. One is the two spin-orbit (SO) parameter model in which not only the contribution due to the SO coupling of central d(3) ion, but also that of the ligands are included, and another is the conventional one-SO-parameter model where only the contribution due to the SO coupling of the central d(3) ion is considered. The estimated tetragonal distortion Delta R based on the two-SO-parameter model is about 2.2 that based on the one-SO-parameter model for both centers and the reasonableness of the former is discussed. It appears that for the d(n) clusters with ligands having a large SO coupling coefficient zeta(p), the contribution of SO coupling of ligands to the EPR parameters cannot be neglected and so the two-SO-parameter model should be used to explain the EPR parameters, or, conversely, to study the local structures of these clusters from EPR data. (C) 1998 Published by Elsevier Science B.V. All rights reserved.
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sichuan univ, dept mat sci, chengdu 610064, peoples r china. acad sinica, int ctr mat phys, shenyang 110015, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china
W. C. Zheng,S. Y. Wu. Studies of the local structures for the two tetragonal centers in AgCl : Cr-3+ crystals from EPR parameters[J]. Physica B-Condensed Matter,1998,252(3):173-177.
APA
W. C. Zheng,&S. Y. Wu.(1998).Studies of the local structures for the two tetragonal centers in AgCl : Cr-3+ crystals from EPR parameters.Physica B-Condensed Matter,252(3),173-177.
MLA
W. C. Zheng,et al."Studies of the local structures for the two tetragonal centers in AgCl : Cr-3+ crystals from EPR parameters".Physica B-Condensed Matter 252.3(1998):173-177.
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