| 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 | |
| Source Publication | European Physical Journal-Applied Physics
 |
| ISSN | 1286-0042 |
| Volume | 61Issue:3 |
| Abstract | 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. |
| description.department | [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 |
| Keyword | Electron-paramagnetic Resonance Atomic Screening Constants Scf Functions Ions Crystals Epr Centers Oxides Zno |
| URL | 查看原文 |
| Language | 英语 |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/71464 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation 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). |
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