摘要
本文基于固体与分子经验电子理论,确定了八种laves相的价电子结构,提出了MgCu_2型laves相的熔化条件是A—A键断,并从理论上给予了解释,应用熔点的电子理论对MgCu_2型laves相的熔点进行了计算,理论值与实际值的误差在10％以内,使原子杂化态的高温效应观点的正确性在化合物中得到了新的证明。
Basing on the electronic theory of solid and molecular, this article settles valence eletronic structure of eight kinds of laves phase. The melting condition of MgCu2 type laves phase is that of A-A bond breaks which has been explained theoretically. Melting point of MgCu2 type laves phase is calculated by using the electronic theory of melting point, errors between theory and practise are less than 10% which proves that the view of mixes atom of high temperature effect is verified as well.
关键词
价电子结构
LAVES相
微观熔化模型
laves phase, valence electronic structure, micro melting model
