Simulation of the Effect of the Grain Boundary Structure on Effective Ionic Charges in the Processes of Electromigration

Resumo

A model that allows calculating the effective charge of native and impurity ions during electromigration at the tilt grain boundary of metal is proposed for the first time. It is considered in the model that the main factor resulting in the difference in the values of the effective charge during electromigration at the boundary and in the volume of the monocrystal is the difference in their atomic densities. It has an effect on the electron wind force determining the value of the effective charge. In this work, the procedure of calculating the form-factors of ions is improved to carry out the specified calculations, and also the model approximations enabling us to relate the atomic density at the tilt grain boundary with the parameters of its structure are developed. The effective charges of aluminum and copper ions at the grain boundary of aluminum as a function of the grain boundary’s misorientation angle, texture of the grains forming the boundary, and temperature are calculated in the model.