Theoretical Investigations on the Spin Hamiltonian Parameters and Local Structure for the Tetragonal Pt3+ Center in BaTiO3

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	Theoretical Investigations on the Spin Hamiltonian Parameters and Local Structure for the Tetragonal Pt3+ Center in BaTiO3
	Z. H. Zhang; S. Y. Wu; B. T. Song; S. X. Zhang
	2012
发表期刊	Brazilian Journal of Physics
ISSN	0103-9733
卷号	42 期号:5-6 页码:340-346
摘要	The spin Hamiltonian parameters (g factors and the hyperfine structure constants) and the local structure for the tetragonal Pt (3 +) center in BaTiO (3) are theoretically investigated from the improved perturbation formulas of these parameters for a 5d (7) ion in a tetragonally elongated octahedron. The Jahn-Teller effect yields 0.05 longer Pt (3 +) -aEuro parts per thousand O (2 -aEuro parts per thousand) bonds along the C (4) axis. Under the uniaxial [001] stress of 0.17GPa, the impurity center shows a moderate decrease of 12% for the tetragonal elongation and a slight increase of 3% for the core polarization constant, leading to the decline of the anisotropy Delta g (= g (aSyenaEuro parts per thousand) -aEuro parts per thousand g (//)) and the increase of Delta A (= A (aSyenaEuro parts per thousand) -aEuro parts per thousand A (//)), respectively. The calculated spin Hamiltonian parameters show good agreement with the observed values.
部门归属	[zhang, zhi-hong; wu, shao-yi; song, bo-tao; zhang, shan-xiang] 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.;zhihongzhang723@163.com; shaoyi_wu@163.com
关键词	Impurity And Defects Electron Paramagnetic Resonance Pt3++ Batio3 Electron-paramagnetic-resonance Atomic Screening Constants Doped Batio3 Superposition Model Magnetic-resonance Single-crystals Scf Functions Thin-films Ceramics Ions
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60471
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,B. T. Song,et al. Theoretical Investigations on the Spin Hamiltonian Parameters and Local Structure for the Tetragonal Pt3+ Center in BaTiO3[J]. Brazilian Journal of Physics,2012,42(5-6):340-346.
APA	Z. H. Zhang,S. Y. Wu,B. T. Song,&S. X. Zhang.(2012).Theoretical Investigations on the Spin Hamiltonian Parameters and Local Structure for the Tetragonal Pt3+ Center in BaTiO3.Brazilian Journal of Physics,42(5-6),340-346.
MLA	Z. H. Zhang,et al."Theoretical Investigations on the Spin Hamiltonian Parameters and Local Structure for the Tetragonal Pt3+ Center in BaTiO3".Brazilian Journal of Physics 42.5-6(2012):340-346.