【摘 要】
：
In tetragonal ligand-field, the energy levels and third-order perturbation formulas of EPR (zero-field splitting D and g-factors) for 3d3/7 configuration io
【出 处】
：
2012 Postdoctoral Symposium of China on Materials Science &a
论文部分内容阅读
In tetragonal ligand-field, the energy levels and third-order perturbation formulas of EPR (zero-field splitting D and g-factors) for 3d3/7 configuration ions have been constructed based on Zhaos Semi-SCF d-orbit wave functions model, Macfarlanes perturbation loop method and point-charge crystal field model.In these formulas, the contributions from configuration interaction, covalency effect, Racah-Trees corrections and local structure distortion have been considered.This theoretical system is applied to calculate the energy levels and EPR parameters of CsBr∶Cr3+ crystal at 293 and 77 K.The theoretical calculations are consistent with the experimental reports, and the results are discussed.
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