Studies on the local structures and spin Hamiltonian parameters for the rhombic Nb(4+) centers in MO(2) (M = Sn, Ti and Ge) crystals

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	Studies on the local structures and spin Hamiltonian parameters for the rhombic Nb(4+) centers in MO(2) (M = Sn, Ti and Ge) crystals
	Z. H. Zhang; S. Y. Wu; P. Xu; L. L. Li; S. X. Zhang
	2011
发表期刊	European Physical Journal-Applied Physics
ISSN	1286-0042
卷号	53 期号:2
摘要	The local structures and the spin Hamiltonian parameters for the substitutional Nb(4+) centers in MO(2) (M = Sn, Ti and Ge) crystals are theoretically studied using the perturbation formulas of these parameters for a 4d(1) ion in a rhombically compressed octahedron. The above Nb(4+) centers are found to experience the Jahn-Teller distortions, characteristic of the relative axial compressions (similar to 0.01-0.02 angstrom) and the non-axial (planar) angular increases (similar to 3 degrees). As a result, the ligand octahedra are transformed from original elongation on host tetravalent cation sites to compression in the impurity centers, with additional non-axial distortions smaller than those in the hosts. The influences of the,Jahn-Teller distortions and the ligand orbital contributions are also analyzed.
部门归属	[zhang, z. -h.; wu, s. -y.; xu, p.; li, l. -l.; zhang, s. -x.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, s. -y.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zhang, zh (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;shaoyi_wu@163.com
关键词	Transparent Conducting Oxide Atomic Screening Constants Paramagnetic-resonance Doped Tio2 Superposition Model Tetragonal Geo2 Scf Functions Niobium Rutile Field
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30943
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. H. Zhang,S. Y. Wu,P. Xu,et al. Studies on the local structures and spin Hamiltonian parameters for the rhombic Nb(4+) centers in MO(2) (M = Sn, Ti and Ge) crystals[J]. European Physical Journal-Applied Physics,2011,53(2).
APA	Z. H. Zhang,S. Y. Wu,P. Xu,L. L. Li,&S. X. Zhang.(2011).Studies on the local structures and spin Hamiltonian parameters for the rhombic Nb(4+) centers in MO(2) (M = Sn, Ti and Ge) crystals.European Physical Journal-Applied Physics,53(2).
MLA	Z. H. Zhang,et al."Studies on the local structures and spin Hamiltonian parameters for the rhombic Nb(4+) centers in MO(2) (M = Sn, Ti and Ge) crystals".European Physical Journal-Applied Physics 53.2(2011).