Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu(2+)

IMR OpenIR

	Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu(2+)
	S. Y. Wu; L. H. Wei; Z. H. Zhang; X. F. Wang; Y. X. Hu
	2008
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	71 期号:4 页码:1307-1310
摘要	The spin Hamiltonian parameters (the g factors and the hyperfine structure constants) and local structure for ZnO:Cu(2+) are theoretically studied from the perturbation formulas of these parameters for a 3d(9) ion under trigonally distorted tetrahedra. The ligand orbital and spin-orbit coupling contributions are taken into account from the cluster approach due to the significant covalency of the [CuO(4)](6-) cluster. According to the investigations, the impurity Cu(2+) is Suggested not to locate on the ideal Zn(2+) site in ZnO but to undergo a slight outward displacernent (approximate to 0.01 angstrom) away from the ligand triangle along C(3) axis. The calculated spin Hamiltonian parameters are in good agreement with the observed values. The validity of the above impurity displacement is also discussed. (C) 2008 Elsevier B.V. All rights reserved.
部门归属	[wu, shao-yi; wei, li-hua; zhang, zhi-hong; wang, xue-feng; hu, yue-xia] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, shao-yi] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;wushaoyi@netease.com
关键词	Electron Paramagnetic Resonance Defect Structures Crystal-fields And Spin Hamiltonians Cu(2+) Zno Electron-paramagnetic-resonance Atomic Screening Constants Zno Crystals Scf Functions Methanol Semiconductors Impurities Catalysts Hydrogen Ions
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33210
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,L. H. Wei,Z. H. Zhang,et al. Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu(2+)[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2008,71(4):1307-1310.
APA	S. Y. Wu,L. H. Wei,Z. H. Zhang,X. F. Wang,&Y. X. Hu.(2008).Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu(2+).Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,71(4),1307-1310.
MLA	S. Y. Wu,et al."Studies of the spin Hamiltonian parameters and local structure for ZnO:Cu(2+)".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 71.4(2008):1307-1310.