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The electron structure of a relaxed nanocrystals of KCl, AgCl, and AgCl:I with an edge dislocation was calculated in the tight-binding approximation using cluster approach, in frame of band theory, and by recursion method. According to our calculation data for KCl and AgCl nanocrystals, there are occupied energy levels above top of valence band of ideal crystal with the largest splitting off levels about 0.1 -0.2 eV for KCl and AgCl. We did not obtain any dislocation local levels under bottom of conduction bands both in KCl, and in AgCl. Also it was detected that the splittings of local levels of substitutional impurity of iodine near line of dislocation are incremented. That is, the increasing of density of edge dislocations in AgCl:I will give more effective capture of holes on iodine traps and therefore photosensitivity of a AgCl:I will rise.

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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.

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