ELECTRONIC STRUCTURE OF THE CRYSTALLINE SILICON/n-FOLDSiO2RING INTERFACE

V.G. Zavodinsky () and I.A. Kuyanov
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V.G. Zavodinsky: Insitute for Automation and Control Processes, Far Eastern Branch of the Russian Academy of Sciences, 5 Radio str, 690041, Vladivostok, Russia
I.A. Kuyanov: Research Physical and Technical Institute, Far Eastern State University, 25 Uborevicha str., 690600, Vladivostok, Russia

Surface Review and Letters (SRL), 1996, vol. 03, issue 03, 1403-1407

Abstract: Using theab initiolocal density approach we have studied the electronic structure of the systems consisting of the six-, four- and three-fold planarSiO2rings placed upon the surface of the silicon cluster. The interaction of the six- and four-fold rings with the silicon surface changes the electronic structure of the silica particle very weakly and the surface insulator band gap of 7–8 eV remains in their densities of states. The electronic structure of the three-fold planar ring undergoes a significant reconstruction. Its surface band gap is 3.7 eV instead of 7.6 eV for the free particle case. Two groups of the interfacial states were found inside the silicon semiconductor band gap.

Date: 1996
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DOI: 10.1142/S0218625X96002412

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