掺铋钇铁石榴石光吸收谱的理论计算

CALCULATION OF OPTICAL ABSORPTION FOR BISMUTH SUBSTITUTED YTTRIUM IRON GARNET

利用DV－Xa方法分别计算了和原子簇的能态密度和能级，在能级图的基础上，给出了05~0．9μm（1．6eV^2．3eV）范围内Bi－YIG的与光吸收有关的跃迁能级、振子强度和跃迁线宽，并计算了相应的吸收谱。

On the basis of density of states and valence orbital energy diagrams of Fe3+O2-6 cluster and Fe3+O2-4 cluster which are calculated by DV-Xα method, the transition energies, transition linewidths and oscillator strengths are given for Bi-YIG in the wavelength from 0.5 to 0.9μm. The optical absorption spectra of Bi-YIG are calculated. The results are consistent with experimental data.