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On the ground-state splitting, fine structure of multiplets and EPR spectrum of Ni2+ doped in MgF2 crystal with orthorhombic site symmetry
W. Fang; X. Xiang; H. J. Chen; W. C. Zheng; H. Y. Tang
2014
Source PublicationPhysica B-Condensed Matter
ISSN0921-4526
Volume438Pages:127-130
AbstractThe 45 x 45 complete energy matrix for 3d(8) ion at D-2h site symmetry is used to calculate and assign the ground-state splitting and the fine structure of the multiplets of Ni2+(3d(8)) doped in MgF2 crystal with rutile type structure by the complete diagonalizaton method (CDM) in the frame of semi-empirical molecular orbital (MO) scheme in the strong crystal field (CF) approximation. In the calculation, all the configuration interactions though the cubic CF part, low-symmetry component (tetragonal and orthorhombic parts), Coulomb interaction and the spin-orbit coupling (SOC) interaction (both of the central ion and the liangds) are taken into account completely. The calculated results are in good agreement with the experimental data. In addition, the ground-state splitting is also calculated by the high-order perturbation method (PTM), together with the electron paramagnetic resonance (EPR) parameters D, E and g-factors (g(x), g(y), and g(z)). The results of the spin-orbit splitting of the ground state calculated by CDM and PTM are not only close to each other, but also in good agreement with the observed data. The relationship between crystalline parameters and the fine structure of multiplets and EPR spectrum is established and the local defect structure is determined. (C) 2014 Elsevier B.V. All rights reserved
description.department[fang, wang ; xiang, xun ; chen, heng-jie ; tang, hai-yan] chongqing univ sci & technol, dept math & phys, chongqing 401331, peoples r china. [zheng, wen-chen] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [zheng, wen-chen] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. ; fang, w (reprint author), chongqing univ sci & technol, dept math & phys, chongqing 401331, peoples r china. ; mailfangwang@163.com
KeywordGround-state Splitting Fine Structure Of Multiplets D-2h Site Symmetry Defect Structure Paramagnetic-resonance Parameters Spin-hamiltonian Parameters Superposition-model Field Analysis Ions Covalency Znf2 Impurities Absorption Complexes
URL查看原文
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/72543
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
W. Fang,X. Xiang,H. J. Chen,et al. On the ground-state splitting, fine structure of multiplets and EPR spectrum of Ni2+ doped in MgF2 crystal with orthorhombic site symmetry[J]. Physica B-Condensed Matter,2014,438:127-130.
APA W. Fang,X. Xiang,H. J. Chen,W. C. Zheng,&H. Y. Tang.(2014).On the ground-state splitting, fine structure of multiplets and EPR spectrum of Ni2+ doped in MgF2 crystal with orthorhombic site symmetry.Physica B-Condensed Matter,438,127-130.
MLA W. Fang,et al."On the ground-state splitting, fine structure of multiplets and EPR spectrum of Ni2+ doped in MgF2 crystal with orthorhombic site symmetry".Physica B-Condensed Matter 438(2014):127-130.
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