摘要
本文利用键子式方程和有效价电子电荷的概念详细计算了立方钙钛矿型KMF_3(M=Mg、Mn、Co、Ni、Zn)晶体的化学键参数,键性,晶体中离子的半径及离子的电子极化率,结果发现,F离子在晶体中产生形变,形变行为和F的极化率以及化学键的共价性有相同的规律。
By using the concept of bonding subformula equation and efficient charge of valent electron, the chemical bond parameters, the properties of bond, the ionic raduii and electronic polarizabilities in KMF_3(M=Mg, Mn,Co,Ni,Zn) crystals of cubic perovskite type were calculated in detail. The results show that the F ions are deformed in crystals, the laws of deformation agree with laws of the electronic polarizabilities of F ions and covalency of bond in various crystals.
基金
国家自然科学基金
