摘要
在价力场模型和已公布的α方石英喇曼光谱和红外光谱不完全的观测数据基础上，计算了α方石英振动光谱横模的全部基频和简正模式。基频的计算值和观测值符合较好。预言了至今尚未观测到的对称类Ａ２、Ｂ１各两个基频和Ｂ２的５个基频的位置。
All of the fundamental frequencies and the normal modes of the transverse optical vibration of α cristobalite have been calculated on the basis of the valence force field model and the published data on Raman and infrared spectra of α cristobalite.A close agreement between observed and calculated frequencies has been achieved .Two frequencies of the A 2 and the B 1 each ,and five frequencies of the B 2, which have not been measured so far ,are predicted.A good set of the ten valence force constants for α cristobalite is given.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
1996年第3期331-342,共12页
Journal of Atomic and Molecular Physics
关键词
α方石英
振动光谱
散射谱
红外光谱
晶体
α Cristobalite Vibrational spectrum Raman spectrum Infrared spectrum Valence force field model
