This article is cited in 7 papers

Semiconductors

Theoretical modeling of the structure of tilt grain boundaries in crystalline silicon

V. Yu. Lazebnykh, A. S. Mysovsky

Vinogradov Institute of Geochemistry and Analytical Chemistry, Siberian Branch, Russian Academy of Sciences

Abstract: This paper reports on the results of the calculation of the structures of tilt grain boundaries in crystalline silicon. The calculation has been performed using the classical molecular mechanics method with the Tersoff potential. The calculation of the phonon spectrum has demonstrated that there are several frequency ranges corresponding to vibrations localized along the grain boundary.

Received: 29.05.2012

 English version: Physics of the Solid State, 2012, 54:12, 2357–2361

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