本文利用络合物中Fe~(3+)的SCF-d轨道理论,分别在实际的低对称场D_(3d)和S_4下对YIG和YGG:Fe~(3+)中的d-d跃迁谱进行了理论计算。仅用两个参数和μ就解释了YIG中10800cm~(-1),21150cm~(-1),25700cm~(-1),27600cm~(-1)处的谱分裂,并且指出YGG:Fe~(3+)中的26320cm~(-1),26970cm~(-1)为Fe~(3+)对的双中心跃迁谱。基本澄清了YIG和YGG:Fe~(3+)吸收谱理论的某些混淆。

Using SOF d-orbital theory of Fe3+-ion in complex, we have calculated the absorption spectra of YIG and YGG:Fe3+ at low symmetry D3d and S4 respectively. With only two parameter N and μ, we have explained the splitting at 10800 cm-1, 21160 cm-1, 25700cm-1, 27600cm-1 in YIG, and pointed out that the peaks at 26320cm-1 and 26970cm-1 in YGG:Fe3+belong to two center transitions of Fe3+-ion pairs. Some confusion in the theory of the absorption specta of YIG and YGG:Fe3+ have been clarified.