配体Br的SO耦合对CsCdBr_3: Cr^(3+)EPR的影响

CONTRIBUTION OF SPIN ORBIT COUPLING OF LIGAND Br TO EPR PARAMETERS IN CsCdBr 3:Cr 3+

本文用双自旋－轨道耦合模型研究了晶体ＣｓＣｄＢｒ３中掺杂Ｃｒ３＋离子的ＥＰＲｇ因子和零场分裂Ｄ．结果表明，配体Ｂｒ大的ＳＯ耦合作用和较强的共价性对络合物ＥＰＲ参量的影响不应忽略．当计入配体Ｂｒ的贡献后。

In this paper EPR parameters g factor and D for Cr 3+ ions in the CsCdBr 3:Cr 3+ crystals have been stutied by a two spin orbit (SO) coupling model. The results show that the contribution to EPR parameters from the SO coupling of ligand Brpossessing strong covalence and large SO coupling constant can not be neglected. Considering the contribution of the ligand Brthe experimental result g>g s  in CsCdBr 3:Cr 3+ crystal has been explained reasonably.