Madelung Constants of Nacl and Cscl Structures Using Screened Coloumb Potential

Abstract

A simple, direct, and easily computable and convergent series obtained from the screened Coulomb potential is used to calculate the Madelung constants of the NaCl and CsCl ionic crystals structures. Two FORTRAN codes were written and executed, the fisrt, to obtain the series and the second to fit the series to a quadratic polynomial from which the Madelung constant is obtained. The Madelung constants are fond to be 1.746941 and 1.761997 for the NaCl and CsCl structures respectively.