MgO、AgCl和AgBr中Ni^(2+)的g因子研究

ANALYSIS OF g FACTORS FOR Ni 2+ IONS IN MgO, AgCl AND AgBr

用分子轨道和双自旋－轨道（双ＳＯ）耦合模型研究了ＭｇＯ、ＡｇＣｌ和ＡｇＢｒ中掺杂Ｎｉ２＋（ｄ８）离子的ＥＰＲｇ因子．研究表明，由于配体Ｂｒ（４ｐ电子）有大的ＳＯ耦合系数和较强的共价性，其对ＡｇＢｒ：Ｎｉ２＋的ｇ因子有重要的贡献．

In this paper the g factors in the MgO, AgCl and AgBr crystals doped with Ni 2+ (d 8) ions are stutied by means of a semiempirical molecular orbit and a two spin orbit (SO) coupling model. The calculated results show that there is an important contribution to g factor from the ligand Br because of the larger SO coupling constant and strong covalence of Br.