摘要 | The spin-Hamiltonian parameters (g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to) A(perpendicular to)) of Ta(4+) ion (which is produced by a self-trapped electron at the Ta(5+) site) in LiTaO(3) crystal are calculated from three theoretical methods, the complete diagonalization (of energy matrix including Zeeman interaction and hyperfine interaction) method (CDM), the first-order perturbation formulas related to (2)T(2) state and the third-order perturbation formulas. From the calculations, it is found that only the calculated results using the CDM show good agreement with the experimental values, but those using the rest two methods do not. The causes are discussed. The defect structure of Ta(4+) defect in LiTaO(3) is also obtained from the calculations. The result is coincident with the expectation based on the electrostatic interaction and electron cloud overlap. (C) 2008 Elsevier B.V. All rights reserved.; The spin-Hamiltonian parameters (g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to) A(perpendicular to)) of Ta(4+) ion (which is produced by a self-trapped electron at the Ta(5+) site) in LiTaO(3) crystal are calculated from three theoretical methods, the complete diagonalization (of energy matrix including Zeeman interaction and hyperfine interaction) method (CDM), the first-order perturbation formulas related to (2)T(2) state and the third-order perturbation formulas. From the calculations, it is found that only the calculated results using the CDM show good agreement with the experimental values, but those using the rest two methods do not. The causes are discussed. The defect structure of Ta(4+) defect in LiTaO(3) is also obtained from the calculations. The result is coincident with the expectation based on the electrostatic interaction and electron cloud overlap. (C) 2008 Elsevier B.V. All rights reserved. |
部门归属 | [lv, he; wen-chen, zheng] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [lv, he] zhejiang normal univ, dept phys, jinhua 321004, peoples r china. [wen-chen, zheng] chinese acad sci, int ctr mat phys, senyang 110016, peoples r china.;wen-chen, z (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
; [lv, he; wen-chen, zheng] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [lv, he] zhejiang normal univ, dept phys, jinhua 321004, peoples r china. [wen-chen, zheng] chinese acad sci, int ctr mat phys, senyang 110016, peoples r china.;wen-chen, z (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
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推荐引用方式 GB/T 7714 |
H. Lv,Z. Wen-Chen. Investigations of the spin-Hamiltonian parameters for Ta(4+) ions in LiTaO(3) crystal, Investigations of the spin-Hamiltonian parameters for Ta(4+) ions in LiTaO(3) crystal[J]. Journal of Alloys and Compounds, Journal of Alloys and Compounds,2009, 2009,477, 477(1-2):40911, 40911.
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