Theoretical study of electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ in Al2O3 : Mn2+ system

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	Theoretical study of electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ in Al2O3 : Mn2+ system
	A. J. Mao; J. F. Li; X. Y. Kuang; H. Wang; X. M. Tan
	2006
发表期刊	Journal of Magnetism and Magnetic Materials
ISSN	0304-8853
卷号	306 期号:1 页码:130-134
摘要	Electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ ion in Al2O3:Mn2+ system have been studied by means of the complete energy matrices for electron-electron repulsion, spin-orbit coupling and ligand-field interactions. It is shown that the local lattice structure around Mn2+ ion in Al2O3:Mn2+ system exhibits an elongation distortion in the local lattice structure. The elongation distortion may be ascribed to the facts that the radius of Mn2+ is larger than that of the host ion Al3+, and the Mn2+ ion will push the oxygen ligands outwards. By simulating the second- and fourth-order EPR parameters D and (a-F) simultaneously, the bond length of the upper and lower oxygen triangle R-1 = 2.112-2.137 A, R-2 = 2.003-2.028 A, and the angles between the chemical bond length and C-3 axis theta(1) = 52.944-52.950 degrees, theta(2) = 57.910-57.960 degrees are determined. Furthermore, the displacements Delta Z(1) = 0.2225-0.2345 A for transition-metal ion and Delta Z(2) = 0.171-0.198 A for the distance variation between the two oxygen planes are derived. (C) 2006 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110016, 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	Ligand-field Theory Epr Spectrum Al2o3 : Mn2++ System Zero-field Splittings D-orbital Theory Optical-spectra 3d(5) Ions Crystal Fields Spin Epr Manganese Pressure Corundum
URL	查看原文
WOS记录号	WOS:000240760800022
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/321006/34401
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	A. J. Mao,J. F. Li,X. Y. Kuang,et al. Theoretical study of electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ in Al2O3 : Mn2+ system[J]. Journal of Magnetism and Magnetic Materials,2006,306(1):130-134.
APA	A. J. Mao,J. F. Li,X. Y. Kuang,H. Wang,&X. M. Tan.(2006).Theoretical study of electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ in Al2O3 : Mn2+ system.Journal of Magnetism and Magnetic Materials,306(1),130-134.
MLA	A. J. Mao,et al."Theoretical study of electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ in Al2O3 : Mn2+ system".Journal of Magnetism and Magnetic Materials 306.1(2006):130-134.