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Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni2+-doped Perovskite Fluorides
Cao, Xi-min1; Kuang, Xiao-yu1,2; Li, Cheng-gang1; Chai, Rui-peng1
Corresponding AuthorKuang, Xiao-yu(scu_kxy@163.com)
2011-04-01
Source PublicationCHINESE JOURNAL OF CHEMICAL PHYSICS
ISSN1674-0068
Volume24Issue:2Pages:167-172
AbstractBy 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.
KeywordComplete energy matrix Double spin-orbit coupling parameter model Local structure distortion
DOI10.1088/1674-0068/24/02/167-172
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS IDWOS:000290478500009
PublisherCHINESE PHYSICAL SOC
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/104727
Collection中国科学院金属研究所
Corresponding AuthorKuang, Xiao-yu
Affiliation1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China
2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
Recommended Citation
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.
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