Electronic structure of the AgCl nanosystems with atomicallyrough surfaces, edge dislocations, and isoelectronicsubstitutional impurities

摘要

This work is a short review of our publications which are devoted to theoretical investigations of electronic struc-ture of the silver chlorine nanosystems with atomically rough surfaces, edge dislocations, and iodine isoelectronicsubstitutional impurities. In particular, we have detected that the iodine hole traps are deeper if substitutionaliodine impurities are displaced near surface steps and kinks, or near line of dislocation.