The evaporation mechanism and mass-spectra of Аs-S materials

Abstract

A simplified two-stage evaporation mechanism of As-S materials has been proposed. During the first stage individual AsnSm clusters self-organized into different structural forms are formed on the evaporation surface. During the second stage there is a transition into the vapor of clusters which have low total binding energy with the surface. Based on this model and of first principle quantum-mechanical calculations the probabilities of existence of different AsnSm clusters in the vapor have been defined. It is shown that the concentration of only AsnSm clusters whose formation energy per one atom exceeds 1.8 eV/at. will be significant in the vapor.