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Theoretical explanation of the g factor for Cr in Y2SiO5 crystal |
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| Authors: | Wu Xiao-Xuan Zheng Wen-Chen Tang Sheng |
| Institution: | a Department of Physics, Civil Aviation Flying Institute of China, Guanghan 618307, People's Republic of China b Department of Material Science, Sichuan University, Chengdu 610064, People's Republic of China c International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, People's Republic of China d Surface Physics Laboratory (National Key Lab), Fudan University, Shanghai 200433, People's Republic of China |
| Abstract: | The g factor of Cr4+ in Y2SiO5 crystal is calculated from a completed high-order perturbation formula, in which not only the conventional contribution to the g-shift Δg(=g−ge) from the crystal-field mechanism, but also the contribution from the charge-transfer mechanism (which is neglected in the crystal-field theory) are considered. The calculated result shows good agreement with the observed value. It is found that the calculated Δg due to the charge-transfer mechanism is opposite in sign and about 38% in magnitude, compared with that due to the crystal-field mechanism. So, in the studies of the g factor for a 3dn ion having high valence state in crystals, the contribution due to the charge-transfer mechanism should be taken into account. |
| Keywords: | 76 30Fc 71 70Ch 78 50Ec 71 55Ht |
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