钠锰辉石自旋禁戒谱的理论研究

A THEORETICAL STUDY FOR THE SPIN-FORBIDDEN SPECTRA OF BLANFORDITE

建立了ｄ５（Ｃ２）完全强场能量矩阵，使其对角化，解释了Ｇｈｏｓｅ等观察到的销锰辉石自旋禁戒谱的跃过机制。理论结果表明，这些谱带是由于处在Ｃ２对称晶位的Ｆｅ３＋和Ｍｎ２＋离子发出的。这与Ｇｈｏｓｅ等的估计是一致的。但是，Ｇｈｏｓｅ等在２５０００ｃｍ－１附近观察的谱带与我们的结果不同，该谱带可能是除Ｆｅ３＋和Ｍｎ２＋离子外的其它离子发出的。

By diagonalzing the complete strong-field energy matrices built up for ad'(CJ system,the transition mechanism of the spinforbidden bands of blanfordite observed by Ghose et al recently are explained.The theoretical result shows that there hands are due to the Fe3+ and Mn2+ ions in a C,symmetry site.It supports the estimated by Ghose et al.However,the observed bands near 25000cm-1 seem to be due to the ions other than Fe3+ and Mn2+,this does not consist with the estimated by Ghose et al.