Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni2+-doped Perovskite Fluorides

doi:10.1088/1674-0068/24/02/167-172

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	Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni2+-doped Perovskite Fluorides
	Cao, Xi-min 1; Kuang, Xiao-yu 1,2; Li, Cheng-gang 1; Chai, Rui-peng 1
通讯作者	Kuang, Xiao-yu(scu_kxy@163.com)
	2011-04-01
发表期刊	CHINESE JOURNAL OF CHEMICAL PHYSICS
ISSN	1674-0068
卷号	24 期号:2 页码:167-172
摘要	By analyzing the optical spectra and electron paramagnetic resonance parameter D, the local structure distortion of (NiF6)(4-) clusters in AMF(3) (A=K, Rb; M=Zn, Cd, Ca) and K2ZnF4 series are studied using the complete energy matrix based on the double spin-orbit coupling parameter model for configuration ions in a tetragonal ligand field. The results indicate that the contribution of ligand to spin-orbit coupling interaction should be considered for our studied systems. Moreover, the relationships between D and the spin-obit coupling coefficients as well as the average parameter and the divergent parameter are discussed.
关键词	Complete energy matrix Double spin-orbit coupling parameter model Local structure distortion
DOI	10.1088/1674-0068/24/02/167-172
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000290478500009
出版者	CHINESE PHYSICAL SOC
引用统计	被引频次：2[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/321006/104730
专题	中国科学院金属研究所
通讯作者	Kuang, Xiao-yu
作者单位	1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Cao, Xi-min,Kuang, Xiao-yu,Li, Cheng-gang,et al. Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni2+-doped Perovskite Fluorides[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2011,24(2):167-172.
APA	Cao, Xi-min,Kuang, Xiao-yu,Li, Cheng-gang,&Chai, Rui-peng.(2011).Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni2+-doped Perovskite Fluorides.CHINESE JOURNAL OF CHEMICAL PHYSICS,24(2),167-172.
MLA	Cao, Xi-min,et al."Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni2+-doped Perovskite Fluorides".CHINESE JOURNAL OF CHEMICAL PHYSICS 24.2(2011):167-172.