摘要
The off-center displacement of Co^2＋ ion in SrO crystal is investigated by analyzing its anisotropic g factors gx, gy and gz through diagonalization of the 6 × 6 energy matrix within ^4T1 ground state for a 3d^7 ion under rhombic symmetry. In the matrix, the contributions from the admixtures of various J（= 1/2, 3/2, 5/2） states and the fourth-order term Dn of rhombic crystal-fields and the ligand orbitals and spin-orbit coupling interactions, which are usually ignored in the previous studies, are considered. Both g factors （gx = 4.172, gy = 5.004 and gz = 2.133） and the off-displacement value （△ R ≈ 0.023 am） show good agreement with the experimental data.
The off-center displacement of Co^2＋ ion in SrO crystal is investigated by analyzing its anisotropic g factors gx, gy and gz through diagonalization of the 6 × 6 energy matrix within ^4T1 ground state for a 3d^7 ion under rhombic symmetry. In the matrix, the contributions from the admixtures of various J（= 1/2, 3/2, 5/2） states and the fourth-order term Dn of rhombic crystal-fields and the ligand orbitals and spin-orbit coupling interactions, which are usually ignored in the previous studies, are considered. Both g factors （gx = 4.172, gy = 5.004 and gz = 2.133） and the off-displacement value （△ R ≈ 0.023 am） show good agreement with the experimental data.
基金
Supported by the Fund for Innovative Research Groups from the National Basic Research Program of China under Grant No 2007CB310407, the National Natural Science Foundation of China under Grant No 60721001, the International S＆T Cooperation Program of China under Grant Nos 2006DFA53410 and 2007DFR10250.
