Investigations of the defect structures and the EPR parameters for the substitutional Mo(5+) centers in rutile type crystals

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	Investigations of the defect structures and the EPR parameters for the substitutional Mo(5+) centers in rutile type crystals
	S. Y. Wu; Y. X. Hu; X. F. Wang; C. J. Fu
	2010
发表期刊	Radiation Effects and Defects in Solids
ISSN	1042-0150
卷号	165 期号:4 页码:298-304
摘要	The defect structures and the electron paramagnetic resonance parameters for the substitutional Mo(5+) centers in rutile type SnO(2), TiO(2) and GeO(2) crystals are theoretically investigated from the perturbation formulas of these parameters for a 4d(1) ion in rhombically compressed octahedra. The [MoO(6)](7-) clusters suffer the Jahn-Teller effect and transform the ligand octahedra from original elongation on host tetravalent sites to compression in the impurity centers, with additional smaller rhombic (perpendicular) distortions when compared with those in the hosts. The defect structures and the importance of the ligand contributions are discussed.
部门归属	[wu, shao-yi; hu, yue-xia; wang, xue-feng; fu, chuan-ji] 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@163.com
关键词	Defect Structures Electron Paramagnetic Resonance Crystal And ligAnd Fields Mo(5+) Sno(2) Tio(2) Geo(2) Electron-paramagnetic-resonance Atomic Screening Constants Scf Functions Tio2 Hyperfine Srtio3 Geo2 Sno2 V4
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31583
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,Y. X. Hu,X. F. Wang,et al. Investigations of the defect structures and the EPR parameters for the substitutional Mo(5+) centers in rutile type crystals[J]. Radiation Effects and Defects in Solids,2010,165(4):298-304.
APA	S. Y. Wu,Y. X. Hu,X. F. Wang,&C. J. Fu.(2010).Investigations of the defect structures and the EPR parameters for the substitutional Mo(5+) centers in rutile type crystals.Radiation Effects and Defects in Solids,165(4),298-304.
MLA	S. Y. Wu,et al."Investigations of the defect structures and the EPR parameters for the substitutional Mo(5+) centers in rutile type crystals".Radiation Effects and Defects in Solids 165.4(2010):298-304.