Effective crystal potential from electronegativity viewpoint

摘要

The model based on the assumption of the existence of an interatomic distance dependent, local, effective crystal field applied to the alkalone metals and diamondlike structure crystals (C,Si, Ge, Sn) is presented. We applied the modified model to the calculation of the binding energy and the bulk modulus for the diamondlike crystals. The results of the calculation of the binding energy and the bulk modulus show that well-chosen parameters allows reproduction of the proper values of the binding energy at the equilibrium position. The values of the effective charges and, based on them, electronegativity values show very good correlation with electronegativity values due to Gorlich, Gordy, and Phillips, giving a method for comparison of the different a priori and a posteriori electronegativity scales.