Investigations of the spin-Hamiltonian parameters, optical absorption bands, and local structure for the tetragonal Cu2+ center in Cu2+ -doped ZnCdO nanopowder

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	Investigations of the spin-Hamiltonian parameters, optical absorption bands, and local structure for the tetragonal Cu2+ center in Cu2+ -doped ZnCdO nanopowder
	W. L. Feng; K. Wang; F. Zhao; J. Y. Xue
	2014
发表期刊	Journal of Physics and Chemistry of Solids
ISSN	0022-3697
卷号	75 期号:6 页码:787-789
摘要	The spin-Hamiltonian (or EPR) parameters of tetragonal Cu2+ octahedral centers in ZnCdO nanopowders are calculated from the high-order perturbation formulas based on the cluster approach. In these formulas, the contributions to spin-Hamiltonian parameters due to the admixture between the d orbitals of d(n) ion and the p orbitals of ligand ions via covalence effect are considered. The crystal field parameters are calculated from the superposition model and so the optical absorption bands (related to the crystal field energy levels) and local structure of Cu2+ octahedral centers in ZnCdO nanopowder are also studied. The calculated spin-Hamiltonian parameters and optical absorption bands are in reasonable agreement with the experimental values. The tetragonal elongation AR ( =R-broken vertical bar broken vertical bar-R-perpendicular to) of Cu2+ octahedron in ZnCdO nanopowder due to Jahn-Teller effect is acquired from the calculations. The results are discussed. (C) 2014 Elsevier Ltd. All rights reserved.
部门归属	[feng, wen-lin ; wang, ke ; zhao, fen ; xue, ji-yuan] chongqing univ technol, dept appl phys, chongqing 400054, peoples r china. [feng, wen-lin] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [feng, wen-lin ; xue, ji-yuan] chongqing key lab time grating sensing & adv test, chongqing 400054, peoples r china. ; feng, wl (reprint author), chongqing univ technol, dept appl phys, chongqing 400054, peoples r china. ; wenlinfeng@126.com
关键词	Magnetic Materials Crystal Fields Crystal Structure Electron Paramagnetic Resonance (Epr) Atomic Screening Constants Jahn-teller Distortion Crystal-field Neutron-diffraction Superposition Model Gyromagnetic Factor Au Nanoparticles Single-crystals Scf Functions Ions
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/72844
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. L. Feng,K. Wang,F. Zhao,et al. Investigations of the spin-Hamiltonian parameters, optical absorption bands, and local structure for the tetragonal Cu2+ center in Cu2+ -doped ZnCdO nanopowder[J]. Journal of Physics and Chemistry of Solids,2014,75(6):787-789.
APA	W. L. Feng,K. Wang,F. Zhao,&J. Y. Xue.(2014).Investigations of the spin-Hamiltonian parameters, optical absorption bands, and local structure for the tetragonal Cu2+ center in Cu2+ -doped ZnCdO nanopowder.Journal of Physics and Chemistry of Solids,75(6),787-789.
MLA	W. L. Feng,et al."Investigations of the spin-Hamiltonian parameters, optical absorption bands, and local structure for the tetragonal Cu2+ center in Cu2+ -doped ZnCdO nanopowder".Journal of Physics and Chemistry of Solids 75.6(2014):787-789.