中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh4+ and Ir4+ centers in rhombohedral BaTiO3

文献类型:期刊论文

作者Wu, Shao-Yi1,2; Zhang, Hua-Ming1; Wang, Xue-Feng1; Hu, Yue-Xia1
刊名SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
出版日期2009-09-15
卷号74期号:1页码:74-77
关键词Electron paramagnetic resonance Crystal-fields and spin Hamiltonians Rh4+ Ir4+ BaTiO3
ISSN号1386-1425
DOI10.1016/j.saa.2009.05.013
通讯作者Wu, Shao-Yi(wushaoyi@netease.com)
英文摘要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.
资助项目Support Program for Academic Excellence of UESTC
WOS研究方向Spectroscopy
语种英语
WOS记录号WOS:000270065500012
出版者PERGAMON-ELSEVIER SCIENCE LTD
资助机构Support Program for Academic Excellence of UESTC
源URL[http://ir.imr.ac.cn/handle/321006/97086]  
专题金属研究所_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.

入库方式: OAI收割

来源:金属研究所

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