This article is cited in 3 papers

Electronic properties of semiconductors

Calculation of the electron structure of vacancies and their compensated states in III–VI semiconductors

M. A. Mehrabova, R. S. Madatov

Institute of radiation problems, ANAS

Abstract: The Green’s functions theory and the bond-orbital model are used as a basis for calculations of the electron structure of local defects–specifically, vacancies and their compensated states in III–VI semiconductors. The energy levels in the band gap are established, and the changes induced in the electron densities in the GaS, GaSe, and InSe semiconductors by anion and cation vacancies and their compensated states are calculated. It is established that, if a vacancy is compensated by an atom of an element from the same subgroup with the same tetrahedral coordination and if the ionic radius of the compensating atom is smaller than that of the substituted atom, the local levels formed by the vacancy completely disappear. It is shown that this mechanism of compensation of vacancies provides a means not only for recovering the parameters of the crystal, but for improving the characteristics of the crystal as well.

Received: 15.12.2010
Accepted: 21.12.2010

 English version: Semiconductors, 2011, 45:8, 998–1005

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