INVESTIGATIONS OF THE SPIN HAMILTONIAN PARAMETERS AND THE LOCAL STRUCTURE FOR THE RHOMBIC Cu(2+) CENTER IN RUTILE

IMR OpenIR

	INVESTIGATIONS OF THE SPIN HAMILTONIAN PARAMETERS AND THE LOCAL STRUCTURE FOR THE RHOMBIC Cu(2+) CENTER IN RUTILE
	H. M. Zhang; S. Y. Wu; P. Xu; L. L. Li
	2010
发表期刊	Modern Physics Letters B
ISSN	0217-9849
卷号	24 期号:22 页码:2357-2364
摘要	The spin Hamiltonian parameters (the anisotropic g factors and the hyperfine structure constants) and the local structure for the rhombic Cu(2+) center in rutile (TiO(2)) are theoretically investigated using the formulas of these parameters for a 3d(9) ion in rhombically elongated octahedra. From the studies, the planar impurity-ligand bond angle is found to be about 5.8 degrees larger than that for the host Ti(4+) site due to the Jahn-Teller effect via bending the planar Cu(2+)-O(2-) bonds, which yields much smaller rhombic distortion in the impurity center. The theoretical spin Hamiltonian parameters based on the above local angular distortion show good agreement with the experimental data, and the improvement of the calculation results are also achieved as compared with those of the previous works.
部门归属	[zhang, hua-ming; wu, shao-yi; xu, pei; li, li-li] 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;shaoyi_wu@uestc.edu.cn
关键词	Crystal-fields And Spin Hamiltonians Electron Paramagnetic Resonance (Epr) Cu(2+) Rutile Photocatalytic Activity Hyperfine Interaction Superposition Model Doped Tio2 Crystal Ions Generation Oxidation Systems Cells
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31696
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. M. Zhang,S. Y. Wu,P. Xu,et al. INVESTIGATIONS OF THE SPIN HAMILTONIAN PARAMETERS AND THE LOCAL STRUCTURE FOR THE RHOMBIC Cu(2+) CENTER IN RUTILE[J]. Modern Physics Letters B,2010,24(22):2357-2364.
APA	H. M. Zhang,S. Y. Wu,P. Xu,&L. L. Li.(2010).INVESTIGATIONS OF THE SPIN HAMILTONIAN PARAMETERS AND THE LOCAL STRUCTURE FOR THE RHOMBIC Cu(2+) CENTER IN RUTILE.Modern Physics Letters B,24(22),2357-2364.
MLA	H. M. Zhang,et al."INVESTIGATIONS OF THE SPIN HAMILTONIAN PARAMETERS AND THE LOCAL STRUCTURE FOR THE RHOMBIC Cu(2+) CENTER IN RUTILE".Modern Physics Letters B 24.22(2010):2357-2364.