STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu2+ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL

doi:10.1142/S021797921005418X

IMR OpenIR

	STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu2+ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL
	Mei Yang 1; Zheng Wen-Chen 1,2; He Lv 1,3
通讯作者	Zheng Wen-Chen(zhengwc1@163.com)
	2010-07-20
发表期刊	INTERNATIONAL JOURNAL OF MODERN PHYSICS B
ISSN	0217-9792
卷号	24 期号:18 页码:3619-3625
摘要	In this paper, based on a two-mechanism model, we derive the complete high-order perturbation formulas of the spin-Hamiltonian (SH) parameters (g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to)) for 3d(9) ions in tetragonally elongated octahedral clusters. In the model, the contributions to SH parameters due to the crystal-field (CF) mechanism related to CF excited states and the charge-transfer (CT) mechanism related to CT exacted states (the CT mechanism is neglected in CF theory, which is widely used to study the SH parameters) are taken into account. From these formulas, the SH parameters of Cu2+ ions in AgCl and NaCl crystals are calculated. It is found that for the exact explanation of SH parameters of (CuCl6)(4-) clusters in crystals, the contribution due to CT mechanism should be considered. The relative importance of CT mechanism (characterized by Q(CT)/Q(CF), where Q = Q = Delta(gi) or Lambda((2))(i) , i = parallel to or perpendicular to) increases with the decreasing metal-ligand distance in ( CuCl6)(4-) clusters. The causes are discussed. The signs of A(i) and the defect structures of Cu2+ centers in AgCl and NaCl crystals are suggested from the calculations.
关键词	Spin-Hamiltonian parameters EPR spectra crystal and ligand-field theory charge-transfer mechanism Cu2+ MCl (M = Ag, Na)
DOI	10.1142/S021797921005418X
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Applied ; Physics, Condensed Matter ; Physics, Mathematical
WOS记录号	WOS:000281264700012
出版者	WORLD SCIENTIFIC PUBL CO PTE LTD
引用统计	被引频次：4[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/321006/100984
专题	中国科学院金属研究所
通讯作者	Zheng Wen-Chen
作者单位	1.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China 3.Zhejiang Normal Univ, Dept Phys, Jinhua 321004, Peoples R China
推荐引用方式 GB/T 7714	Mei Yang,Zheng Wen-Chen,He Lv. STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu2+ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL[J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS B,2010,24(18):3619-3625.
APA	Mei Yang,Zheng Wen-Chen,&He Lv.(2010).STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu2+ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL.INTERNATIONAL JOURNAL OF MODERN PHYSICS B,24(18),3619-3625.
MLA	Mei Yang,et al."STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu2+ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL".INTERNATIONAL JOURNAL OF MODERN PHYSICS B 24.18(2010):3619-3625.