Marx, Veit (PhD)Ayana, Tamiru2018-06-252023-11-092018-06-252023-11-091996-10http://etd.aau.edu.et/handle/12345678/3128The electrostatic energy of a cluster up to 2000 ions can be calculated by numerical summation of the Coulomb interactions between all cluster ions. The energy difference between a cluster with a point defect and the corresponding perfect cluster represents the formation energy of the defect. Formation energies of Schottky-like defects in 16 alkali halides (Li-Rb, F-I) were calculated. It can be shown, that the relative positions of the vacancies and the position of the removed ions on the surface have a strong influence on the energy of the defect formation process.enSchottky Defect EnergiesThesis