Electronic structure of the AgCl nanosystems with atomically rough surfaces, edge dislocations, and isoelectronic substitutional impurities

摘要

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