Abstract

In the present work we used semiempirical and non-empirical models for electronic states of KCl nanocrystal containing edge dislocation for comparison of the obtained results. Electronic levels and local densities of states were calculated. As a result we found a reasonable qualitative correlation of semiempirical and non-empirical results. Using the results of computer modelling we discuss the problem of localization of electronic states near the line of edge dislocation.

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