Spin-Hamiltonian parameters and defect structure for the rhombic Dy3+ center in AgCl crystal

doi:10.1016/j.saa.2010.10.018

IMR OpenIR

	Spin-Hamiltonian parameters and defect structure for the rhombic Dy3+ center in AgCl crystal
	Zheng Wen-Chen 1,3; Yang Wei-Qing 1,2; Liu Hong-Gang 1; Su Ping 1
通讯作者	Zheng Wen-Chen(zhengwc1@163.com)
	2011
发表期刊	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN	1386-1425
卷号	78 期号:1 页码:343-346
摘要	Based on the defect model that the rhombic Dy3+ center in AgCl crystal is formed by substitutional Dy3+ ion associated with two nearest Ag+ vacancies (V-Ag) along the (1 1 0) and ((1) over tilde (1) over tilde 0) axes owing to charge compensation, the spin-Hamiltonian parameters (g factors g(i) and hyperfine structure constants (161)A(i) and (163)A(i), where i=x, y, z) of this rhombic Dy3+ center are calculated from a diagonalization (of energy matrix) method. In the method, the Zeeman (or magnetic) and hyperfine interaction terms are attached to the classical Hamiltonian used in the calculation of crystal-field energy levels and a 66 x 66 energy matrix concerning this Hamiltonian is constructed by taking all the ground-term multiplets H-6(J) (J=15/2, 13/2, 11/2, 9/2, 7/2, 5/2) into account. The calculated results (g factors & and average vertical bar A(Dy-161(3+))vertical bar and vertical bar(A) over bar(Dy-163(3+))vertical bar) are in reasonable agreement with the experimental values. From the calculations, the above defect model of rhombic Dy3+ center is confirmed, the defect structure of this Dy3+ center (characterized by the displacement of Cl- ligand caused by VAg) is obtained and the components of hyperfine structure constants A(i)(Dy-161(3+)) and A(i)(Dy-163(3+)) are predicted. The results are discussed. (c) 2010 Elsevier B.V. All rights reserved.
关键词	Electron paramagnetic resonance crystal- and ligand-field theory Defect structure AgCl Dy3+
资助者	ICMP, CAS
DOI	10.1016/j.saa.2010.10.018
收录类别	SCI
语种	英语
资助项目	ICMP, CAS[ICMP 2009001]
WOS研究方向	Spectroscopy
WOS类目	Spectroscopy
WOS记录号	WOS:000287107000053
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：3[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/321006/104606
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.Chengdu Univ Informat Technol, Dept Photoelect Technol, Chengdu 610225, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Zheng Wen-Chen,Yang Wei-Qing,Liu Hong-Gang,et al. Spin-Hamiltonian parameters and defect structure for the rhombic Dy3+ center in AgCl crystal[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2011,78(1):343-346.
APA	Zheng Wen-Chen,Yang Wei-Qing,Liu Hong-Gang,&Su Ping.(2011).Spin-Hamiltonian parameters and defect structure for the rhombic Dy3+ center in AgCl crystal.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,78(1),343-346.
MLA	Zheng Wen-Chen,et al."Spin-Hamiltonian parameters and defect structure for the rhombic Dy3+ center in AgCl crystal".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 78.1(2011):343-346.