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Theoretical investigation of the local lattice structure of Mn2+ ion doped in tetragonal K2ZnF4 crystal
Z. Y. Jiao; X. Y. Kuang; X. F. Huang; J. H. Li; M. L. Duan
2006
Source PublicationEuropean Physical Journal B
ISSN1434-6028
Volume53Issue:3Pages:297-300
AbstractThe complete energy matrices(252 x 252) for a d(5) configuration ion in a tetragonal ligand-field has been constructed on the basis of the complete set of basis vertical bar L, S, M-L, M-S > of d(5) configuration (252 dimension), and the relationship between the low-symmetry EPR parameters b(2)(0), b(4)(0) and the local distortion parameters has been established based on the complete energy matrices. As an application, we have studied the EPR parameters and the local lattice structure of Mn2+ ion doped in tetragonal K2ZnF4 system. The calculation indicated that the local lattice structure around a tetragonal Mn2+ ion center has an expansion distortion. Simultaneously, the local lattice structure parameters R-1 = 2.0727 angstrom, R-2 = 2.0801 angstrom at room temperature (295 K) and R-1' = 2.0439 angstrom, R-2' = 2.05478 angstrom at low temperature (4.2 K) are determined.
description.departmentsichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. henan normal univ, dept phys, xinxiang 453007, peoples r china. acad sinica, int ctr mat phys, shenyang 110016, peoples r china. sichuan normal univ, dept phys, chengdu 610066, peoples r china.;jiao, zy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kxy@163.com
KeywordElectron-paramagnetic-resonance Nuclear Magnetic Resonance Field Fe3++ Fluoroperovskites Centers Fe-3++ Epr
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WOS IDWOS:000241614600004
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Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/34280
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
Z. Y. Jiao,X. Y. Kuang,X. F. Huang,et al. Theoretical investigation of the local lattice structure of Mn2+ ion doped in tetragonal K2ZnF4 crystal[J]. European Physical Journal B,2006,53(3):297-300.
APA Z. Y. Jiao,X. Y. Kuang,X. F. Huang,J. H. Li,&M. L. Duan.(2006).Theoretical investigation of the local lattice structure of Mn2+ ion doped in tetragonal K2ZnF4 crystal.European Physical Journal B,53(3),297-300.
MLA Z. Y. Jiao,et al."Theoretical investigation of the local lattice structure of Mn2+ ion doped in tetragonal K2ZnF4 crystal".European Physical Journal B 53.3(2006):297-300.
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