离子极化和离子晶体的晶格能——离子极化能的理论计算和适用于所有离子晶体的晶格能公式

摘要

A theoretical formula has been developed for the calculation of polarization energy in ionic erystals by using the concept of effective nuclear charge and theorems in electrostatics Up=-1/2 NBZ*e2α r0A This applies to all types of crystals, i.e., nonstandard as well as standard type erystals with a small polarization energy. Ionic polarization energies of 393 compounds and lattice energies of 330 compounds were calculated with this formula, and the agreement between calculated and experimental values is generally good.