摘要The off-center displacement of Co2+ 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 3d7 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 Dη 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 (ΔR≈0.023nm) show good agreement with the experimental data.
Abstract：The off-center displacement of Co2+ 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 3d7 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 Dη 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 (ΔR≈0.023nm) show good agreement with the experimental data.
LU Guang-Duo;ZHANG Huai-Wu;TANG Xiao-Li;ZHONG Zhi-Yong;PENG Long. Theoretical Investigations on the Off-Center Displacement of Co2+ in SrO by Analyzing Its Anisotropic g Factors[J]. 中国物理快报, 2009, 26(8): 86103-086103.
LU Guang-Duo, ZHANG Huai-Wu, TANG Xiao-Li, ZHONG Zhi-Yong, PENG Long. Theoretical Investigations on the Off-Center Displacement of Co2+ in SrO by Analyzing Its Anisotropic g Factors. Chin. Phys. Lett., 2009, 26(8): 86103-086103.
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