THEORETICAL STUDIES OF THE SPIN HAMILTONIAN PARAMETERS AND LOCAL STRUCTURE FOR THE TETRAGONAL Rh(2+) CENTER IN RHOMBOHEDRAL BaTiO(3)

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	THEORETICAL STUDIES OF THE SPIN HAMILTONIAN PARAMETERS AND LOCAL STRUCTURE FOR THE TETRAGONAL Rh(2+) CENTER IN RHOMBOHEDRAL BaTiO(3)
	H. M. Zhang; S. Y. Wu; X. F. Wang; Y. X. Hu
	2009
发表期刊	Modern Physics Letters B
ISSN	0217-9849
卷号	23 期号:17 页码:2115-2122
摘要	The spin Hamiltonian parameters and local structure for the tetragonal Rh(2+) center in rhombohedral BaTiO(3) are theoretically studied from the perturbation formulas of these parameters for a 4d(7) ion with low spin (S = 1/2) in tetragonally elongated octahedra. This center is ascribed to substitutional Rh(2+) at the Ti(4+) site in BaTiO(3). The [RhO(6)](10-) cluster suffers relative elongation (characterized by the elongation parameter rho approximate to 0.9%) along the [100] axis due to the Jahn-Teller effect. The tetragonal elongation can entirely depress the slight trigonal distortion of the original Ti(4+) site in rhombohedral BaTiO(3). The calculated spin Hamiltonian parameters based on the above Jahn-Teller elongation show good agreement with the experimental results.
部门归属	[zhang, hua-ming; wu, shao-yi; 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.;zhang, hm (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;wushaoyi@netease.com
关键词	Electron Paramagnetic Resonance Crystal And ligAnd Fields Rh(2+) Batio(3) Atomic Screening Constants Superposition Model Scf Functions Ions Defect Epr Crystals Spectrum Rhodium System
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32542
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,X. F. Wang,et al. THEORETICAL STUDIES OF THE SPIN HAMILTONIAN PARAMETERS AND LOCAL STRUCTURE FOR THE TETRAGONAL Rh(2+) CENTER IN RHOMBOHEDRAL BaTiO(3)[J]. Modern Physics Letters B,2009,23(17):2115-2122.
APA	H. M. Zhang,S. Y. Wu,X. F. Wang,&Y. X. Hu.(2009).THEORETICAL STUDIES OF THE SPIN HAMILTONIAN PARAMETERS AND LOCAL STRUCTURE FOR THE TETRAGONAL Rh(2+) CENTER IN RHOMBOHEDRAL BaTiO(3).Modern Physics Letters B,23(17),2115-2122.
MLA	H. M. Zhang,et al."THEORETICAL STUDIES OF THE SPIN HAMILTONIAN PARAMETERS AND LOCAL STRUCTURE FOR THE TETRAGONAL Rh(2+) CENTER IN RHOMBOHEDRAL BaTiO(3)".Modern Physics Letters B 23.17(2009):2115-2122.