Theoretical study of electron paramagnetic resonance spectrum for Fe3+ ion in KMgF3 : Fe3+ system

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	Theoretical study of electron paramagnetic resonance spectrum for Fe3+ ion in KMgF3 : Fe3+ system
	J. F. Li; X. Y. Kuang; X. F. Huang; C. Lu; A. J. Mao
	2007
发表期刊	Journal of Magnetism and Magnetic Materials
ISSN	0304-8853
卷号	309 期号:1 页码:113-118
摘要	The electron paramagnetic resonance spectrum of the KMgF3:Fe3+ system has been studied on the basis of the complete energy matrices for the electron-electron repulsion, the ligand-field and the spin-orbit coupling of d(5) configuration ion with a trigonal symmetry. A two-layer-ligand model, which includes six F- ions in the first layer and eight next nearest-neighbor K+ ions in the second layer, has been proposed to describe the real ligand-field. By simulating the second-order and fourth-order EPR parameters D and (a - F) simultaneously, a displacement of a K+ ion along C-3-axis towards the Fe3+ ion has been found theoretically, and this displacement will give rise to the distortion of the octahedron constructed by six F- ligand ions in the first layer. Delta Z is used to describe the displacement of a K+ ion along C3-axis towards the Fe3+ ion, and two angles theta(1) and theta(2) between the Fe3+-F- band and C3-axis are taken to describe the local distortion along the [111] direction. By adjusting the Delta Z, the range of the local distortion parameters Delta theta(1) = 5.54 degrees-6.07 degrees, Delta theta(2) = -4.60 degrees to -5.00 degrees are determined, and the EPR spectrum of the KMgF3:Fe3+ system has been satisfactorily explained by the two-layer-ligand model. (c) 2006 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. sichuan normal univ, dept phys, chengdu 610066, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kxy@163.com
关键词	Kmgf3 : Fe3++ System Local Lattice Structure Distortion Epr Spectrum Ligand-field Theory Superposition-model Analysis Spin-hamiltonian Parameters Single-crystals Doped Kmgf3 Field Kznf3 State Fe-3++ Laser Mn2++
URL	查看原文
WOS记录号	WOS:000242224500019
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/321006/33636
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	J. F. Li,X. Y. Kuang,X. F. Huang,et al. Theoretical study of electron paramagnetic resonance spectrum for Fe3+ ion in KMgF3 : Fe3+ system[J]. Journal of Magnetism and Magnetic Materials,2007,309(1):113-118.
APA	J. F. Li,X. Y. Kuang,X. F. Huang,C. Lu,&A. J. Mao.(2007).Theoretical study of electron paramagnetic resonance spectrum for Fe3+ ion in KMgF3 : Fe3+ system.Journal of Magnetism and Magnetic Materials,309(1),113-118.
MLA	J. F. Li,et al."Theoretical study of electron paramagnetic resonance spectrum for Fe3+ ion in KMgF3 : Fe3+ system".Journal of Magnetism and Magnetic Materials 309.1(2007):113-118.