LiNbO_3:Ni^(2+)晶体中Ni^(2+)离子的占位研究

AN INVESTIGATION FOR THE SUBSTITUTIONAL SITES OF Ni 2+ IN LiNbO 3:Ni 2+ CRYSTAL

本文研究了Ｎｉ２＋离子在ＬｉＮｂＯ３晶体中的占位．采用完全对角化哈密顿矩阵方法，计算了Ｎｉ２＋：ＬｉＮｂＯ３的零场分裂和光谱结构，计算值与实验观测值一致．研究表明，Ｎｉ２＋离子占Ｌｉ＋位并且沿Ｃ３轴向氧八面体中心移动约０．

The substitutional site of Ni 2+ in LiNbO 3:Ni 2+ has been investigated by means of analysis of the zero field splitting D and optical spectra. It is shown that Ni 2+ substitutes the Li + site in the crystal. However, a Ni 2+ displacement of about 0.22 along the C 3  axis towards the center of the oxygen octahedron is obtained by fitting the spectroscopic findings.