Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh4+ and Ir4+ centers in rhombohedral BaTiO3

doi:10.1016/j.saa.2009.05.013

IMR OpenIR

	Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh4+ and Ir4+ centers in rhombohedral BaTiO3
	Wu, Shao-Yi 1,2; Zhang, Hua-Ming 1; Wang, Xue-Feng 1; Hu, Yue-Xia 1
通讯作者	Wu, Shao-Yi(wushaoyi@netease.com)
	2009-09-15
发表期刊	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN	1386-1425
卷号	74 期号:1 页码:74-77
摘要	The local structures and spin Hamiltonian parameters (g factors and the hyperfine structure constants) of the Rh4+(4d(5)) and Ir4+(5d(5)) centers in rhombohedral BaTiO3 are theoretically investigated from the formulas of these parameters for a nd(5) (n = 4 and 5) ion with low spin (S = 1/2) in a trigonally distorted octahedron. From the calculations, the impurity ions are found not to occupy exactly the host Ti4+ site in BaTiO3 but to suffer a slight inward shift (similar to 0.13 angstrom) towards the center of the oxygen octahedron along the C-3 axis, yielding much smaller trigonal distortion as compared with that of the host Ti4+ site. The theoretical spin Hamiltonian parameters based on the above impurity axial shifts are in good agreement with the observed values. (C) 2009 Elsevier B.V. All rights reserved.
关键词	Electron paramagnetic resonance Crystal-fields and spin Hamiltonians Rh4+ Ir4+ BaTiO3
资助者	Support Program for Academic Excellence of UESTC
DOI	10.1016/j.saa.2009.05.013
收录类别	SCI
语种	英语
资助项目	Support Program for Academic Excellence of UESTC
WOS研究方向	Spectroscopy
WOS类目	Spectroscopy
WOS记录号	WOS:000270065500012
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/97087
专题	中国科学院金属研究所
通讯作者	Wu, Shao-Yi
作者单位	1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Wu, Shao-Yi,Zhang, Hua-Ming,Wang, Xue-Feng,et al. Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh4+ and Ir4+ centers in rhombohedral BaTiO3[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2009,74(1):74-77.
APA	Wu, Shao-Yi,Zhang, Hua-Ming,Wang, Xue-Feng,&Hu, Yue-Xia.(2009).Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh4+ and Ir4+ centers in rhombohedral BaTiO3.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,74(1),74-77.
MLA	Wu, Shao-Yi,et al."Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh4+ and Ir4+ centers in rhombohedral BaTiO3".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 74.1(2009):74-77.