A general Mobius inversion transform formula for hcp lattices and its application

In this paper,we present a general Mobius inversion transform formula for hcp lattices.This formula can be applied to hcp lattices with a non-ideal c/a value and to obtain the pair potential between atoms in these lattices from the cohesive energy.Also,the three-body interaction among atoms in the lattices can be taken into account in the method.This method gives a useful means to obtain interatomic interactions in the interatomic force model.The method has been applied to zinc,and the pair potential obtained is used to calculate the phonon dispersion relations for some high-symmetry directions.It is found that,by properly considering a three-body interaction,one can acquire satisfactory results.     

六角密堆结构的Mobius变换及镁的对势

提出并证明了一个适用于六角密堆（ｈｃｐ）结构的Ｍｂｉｕｓ变换公式．从晶体中原子的结合能出发，利用这个公式可以得到具有ｈｃｐ结构的晶体中原子间的相互作用对势．作为例子，利用这一方法计算了镁的对势．     

六角密堆结构的Mbius变换及镁的对势

提出并证明了一个适用于六角密堆(hcp)结构的Mbius变换公式.从晶体中原子的结合能出发，利用这个公式可以得到具有hcp结构的晶体中原子间的相互作用对势.作为例子，利用这一方法计算了镁的对势. 关键词：