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|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:||http://dx.doi.org/10.1016/0169-4332(96)00010-4||Rights:||© 1996 Elsevier B.V. All rights reserved.||Type:||Article|
|Appears in Collections:||Άρθρα/Articles|
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