摘要
应用成键轨道近似（ＢＯＡ）、紧束缚方法加上Ｃｈａｄｉ的短程势计算了纤锌矿类型晶体的总能、力常数和动力学矩阵．模型清晰，力常数可靠．为计算此类晶体的振动谱和讨论其各种重要物理性质提供了基础，
The total energy, force constants and dynamic matrix of wurtzite type crystals have been calculated by using the bond orbital approximation (BOA), tight-binding method and Chadi's short-range interaction energy. The method is very clear and the force constants are relisble. So it provided a necessary basis for calculating the vibrational spectra and discussing various important physical prop ertiot of thes type of crystals.
关键词
力常数
动力学矩阵
晶体
纤锌矿型
wurtzite type structure
bond orbital approximation
tight-binding mathod
lattice dynamics
Raman spectrum
