Microstructural and elastic properties of silicon-germanium-carbon alloys
Journal
Applied Surface Science
Date Issued
August 1996
Author(s)
DOI
10.1016/0169-4332(96)00010-4
Abstract
We present a theoretical study, based on Monte Carlo simulations, of the equilibrium structure and elastic properties of Si1-x-yGexCy. alloys. We find a repulsive interaction among C substitutionals at short separations and, consistently with previous work, a preferred third nearest-neighbour-atom arrangement. Very few Ge-C bonds are found. We also observe significant deviations of the structural parameters of the system from linearly interpolated values. This effect is linked to a considerable downward bowing of the elastic constants of the material, as C is added.