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中国物理学会期刊

晶体材料中3d2态离子自旋哈密顿参量的微观起源

CSTR: 32037.14.aps.53.1981

Microscopic origins of the spin-Hamiltonian parameters for 3d2 state ions in a crystal

CSTR: 32037.14.aps.53.1981
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  • 采用了中间场耦合图像,考虑了以前研究中被忽略的SS (spin-spin)磁相互作用以及SOO (spin-other-orbit)磁相互作用,利用完全对角化方法,研究了3d2态离子在三角对称 (C3v, D3, D3d)晶体中自旋哈密顿(SH)参量的微观起源.发现自旋哈密顿参量 (包括零场分裂参量D和g因子g∥,g⊥)来自四种耦合机理:(1)SO (spin-orbit)耦合机理; (2) SS耦合机理;(3)SOO

     

    By adopting the intermediate-field scheme, the microscopic origins of the spin-Hamiltanian (SH) parameters for 3d2ion at trigonal (C3v, D3, D3d) symmetry, taking into account the spinspin(SS) and spin-other-orbit(SOO) coupling interactions omitted in previous publications, have been investigated on the basis of complete diagonalization method(CDM). We find that the SH parameters arise from four microscopic mechanisms, i.e. (1) Spin-orbit(SO) coupling mechanism; (2) SS coupling mechanism; (3) SOO coupling mechanism; (4) SO-SS-SOO combined coupling mechanism. The SO coupling mechanism in the four coupling mechanisms is the most important one, but the contributions to zero-field splitting parameter D from other three coupling mechanisms cannot be omitted.

     

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