Studies of the EPR g factor for Ni2+ ion in CsMgX3 (X = Cl, Br, I) crystals

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	Studies of the EPR g factor for Ni2+ ion in CsMgX3 (X = Cl, Br, I) crystals
	W. C. Zheng; X. X. Wu
	2006
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	64 期号:3 页码:628-630
摘要	The complete high-order perturbation formula of g factor, including not only the widely used crystal-field (CF) mechanism, but also the neglected change-transfer (CT) mechanism in the CF theory, is established for a 3d(8) ion in cubic octahedral site. From the formula, the g-shifts Delta g (=g - gs, where gs approximate to 2.0023, the value of free electron) of Ni2+ ion in CsMgX3 (X = Cl, Br, I) crystals are calculated. The results suggest that the g-shift Delta gCT due to the CT mechanism and the Delta gCF due to CF mechanism have the same sign and the importance of Delta gCT follows the order: CsMgI3: Ni2+ > CsMgBr3: Ni2+ > CsMgCl3: Ni2+. So, in the calculations of g or Delta g of 3d(n) MXm clusters in crystals, the contributions to g factor from both the CT and CF mechanisms should be taken into account in the case of heavy-element ligand ions, such as Br- and I- ions. (c) 2005 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, dept mat sci, chengdu 610064, peoples r china. civil aviat flying inst china, dept phys, guanghan 618307, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
关键词	Electron Paramagnetic Resonance Csmgx3 (x = Cl Charge Transfer Mechanism Br Crystal- And i) Ligand-field Theory Ni2++ Paramagnetic-resonance Parameters Atomic Screening Constants Scf Functions Csmgbr3 Spectra
URL	查看原文
WOS记录号	WOS:000237843100012
引用统计	被引频次：10[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/34757
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. C. Zheng,X. X. Wu. Studies of the EPR g factor for Ni2+ ion in CsMgX3 (X = Cl, Br, I) crystals[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2006,64(3):628-630.
APA	W. C. Zheng,&X. X. Wu.(2006).Studies of the EPR g factor for Ni2+ ion in CsMgX3 (X = Cl, Br, I) crystals.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,64(3),628-630.
MLA	W. C. Zheng,et al."Studies of the EPR g factor for Ni2+ ion in CsMgX3 (X = Cl, Br, I) crystals".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 64.3(2006):628-630.