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
刊名	European Physical Journal-Applied Physics
	2011
卷号	53 期号:2
关键词	transparent conducting oxide atomic screening constants paramagnetic-resonance doped tio2 superposition model tetragonal geo2 scf functions niobium rutile field
ISSN号	1286-0042
中文摘要	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.
原文出处	://WOS:000288591700013
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://210.72.142.130/handle/321006/30943]
专题	金属研究所_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).