The vibrational characteristics of the specimens have been analyzed systematically by raman and infrared spectra . the main results are as follows : ( 1 ) the infrared spectra from 400 ~ 800cm - 1 and raman spectra from 80 ~ 800cm - 1 of nine cubic rare earth oxides are first reported completely 用拉曼光谱和红外光谱系统分析了样品的振动特征，主要结果如下： ( 1 )第一次完整报道了九种c型(立方型)稀土氧化物在400 800cm ~ ( - 1 )红外谱区和80 800cm ~ ( - 1 )拉曼谱区的振动光谱。
Possible geometrical structures and relative stability of semiconductor microclusters ganpn ( n = 1 - 5 ) are studied by using density functional calculations with generalized gradient approximation ( b3lyp ) . for the most stable isomers of ganpn ( n = 1 - 4 ) clusters , the electronic structures , vibrational properties , dipole moments , polarizability and ionization potential are analyzed using hf , mp2 , cisd and b3lyp methods with different basis sets 用梯度修正的密度泛函方法( b3lyp 6 - 31g )优化了ga _ np _ n ( n = 1 - 5 )团簇的可能几何构型，计算了各稳定构型的的振动光谱，并用不同方法( hf 、 mp2 、 cisd等)研究了各稳定构型的电子结构、电离势、偶极矩和极化率等性质。
