Please use this identifier to cite or link to this item: http://ktisis.cut.ac.cy/handle/10488/7646
Title: Microstructural and elastic properties of silicon-germanium-carbon alloys
Authors: Kelires, Pantelis C. 
Keywords: Chemical bonds
Computer simulation
Elasticity
Silicon alloys
Monte Carlo method
Interpolation
Issue Date: 1996
Publisher: Elsevier
Source: Applied Surface Science,1996, Volume 102,Pages 12-16
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.
URI: http://ktisis.cut.ac.cy/handle/10488/7646
ISSN: 0169-4332
DOI: 10.1016/0169-4332(96)00010-4
Rights: © 1996 Elsevier B.V. All rights reserved.
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