Theoretical studies of the g factors and hyperfine structure constants for Ni+ in AgGaS2 and AgGaSe2 crystals

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	Theoretical studies of the g factors and hyperfine structure constants for Ni+ in AgGaS2 and AgGaSe2 crystals
	W. C. Zheng; S. Y. Wu; B. J. Zhao; S. F. Zhu
	1999
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	269 期号:3-4 页码:319-323
摘要	In this paper, the high-order perturbation formulas based on the two spin-orbit coupling parameter model for the EPR g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to) of 3d(9) ion in tetragonal tetrahedral crystals are established by a molecular orbital approach. In these formulas, the contributions to EPR parameters from both the spin-orbit coupling parameter of central 3d9 ion and that of ligands are included. By use of these formulas, the EPR parameters Delta g(parallel to)(= g(s) - g(parallel to)), Delta g(perpendicular to)( = g(s) - g(perpendicular to)), A(parallel to) and A(perpendicular to) for Ni+ in AgGaS2 and AgGaSe2 crystals are calculated. The calculated results show good agreement with the observed values. The importance of the contribution from the spin-orbit coupling of ligands to various EPR parameters is discussed. (C) 1999 Elsevier Science B.V. All rights reserved.
部门归属	chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. sichuan univ, dept mat sci, chengdu 610064, peoples r china.;zheng, wc (reprint author), chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china
关键词	Electron Paramagnetic Resonance Crystal- And ligAnd-field Theory Spin-orbit Coupling Ni++ Aggas2 Aggase2 Semiconductors Resonance
URL	查看原文
WOS记录号	WOS:000081470700015
引用统计	被引频次：6[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/321006/37610
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. C. Zheng,S. Y. Wu,B. J. Zhao,et al. Theoretical studies of the g factors and hyperfine structure constants for Ni+ in AgGaS2 and AgGaSe2 crystals[J]. Physica B-Condensed Matter,1999,269(3-4):319-323.
APA	W. C. Zheng,S. Y. Wu,B. J. Zhao,&S. F. Zhu.(1999).Theoretical studies of the g factors and hyperfine structure constants for Ni+ in AgGaS2 and AgGaSe2 crystals.Physica B-Condensed Matter,269(3-4),319-323.
MLA	W. C. Zheng,et al."Theoretical studies of the g factors and hyperfine structure constants for Ni+ in AgGaS2 and AgGaSe2 crystals".Physica B-Condensed Matter 269.3-4(1999):319-323.