Studies on the axial shift and the spin Hamiltonian parameters for Cr+ in BeO

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	Studies on the axial shift and the spin Hamiltonian parameters for Cr+ in BeO
	B. T. Song; S. Y. Wu; M. Q. Kuang; Z. H. Zhang
	2013
发表期刊	European Physical Journal-Applied Physics
ISSN	1286-0042
卷号	61 期号:3
摘要	The axial shift and the spin Hamiltonian parameters (zero-field splitting D, g factors and hyperfine structure constants) for Cr+ in BeO are theoretically studied in this work. The calculations are carried out by using the perturbation formulas of these parameters for a 3d(5) ion under trigonally distorted tetrahedra based on the cluster approach containing both the crystal-field and charge transfer contributions. It is found that the impurity Cr+ may not occupy exactly the host Be2+ site but experience a small outward shift 0.01 angstrom away from the ligand triangle along the C-3 axis. The above impurity axial shift leads to much smaller trigonal distortion than the host Be2+ site in BeO. The theoretical spin Hamiltonian parameters based on the above impurity axial shift are in good agreement with the observed values.
部门归属	[song, bo-tao ; wu, shao-yi ; kuang, min-quan ; zhang, zhi-hong] univ elect sci & technol china, sch phys elect, chengdu 610054, peoples r china. [wu, shao-yi] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. ; song, bt (reprint author), univ elect sci & technol china, sch phys elect, chengdu 610054, peoples r china. ; btsong1@gmail.com
关键词	Electron-paramagnetic Resonance Atomic Screening Constants Scf Functions Ions Crystals Epr Centers Oxides Zno
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/71464
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	B. T. Song,S. Y. Wu,M. Q. Kuang,et al. Studies on the axial shift and the spin Hamiltonian parameters for Cr+ in BeO[J]. European Physical Journal-Applied Physics,2013,61(3).
APA	B. T. Song,S. Y. Wu,M. Q. Kuang,&Z. H. Zhang.(2013).Studies on the axial shift and the spin Hamiltonian parameters for Cr+ in BeO.European Physical Journal-Applied Physics,61(3).
MLA	B. T. Song,et al."Studies on the axial shift and the spin Hamiltonian parameters for Cr+ in BeO".European Physical Journal-Applied Physics 61.3(2013).