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https://hdl.handle.net/20.500.14279/1633| Τίτλος: | Microstructural and elastic properties of silicon-germanium-carbon alloys | Συγγραφείς: | Kelires, Pantelis C. | metadata.dc.contributor.other: | Κελίρης, Παντελής | Major Field of Science: | Social Sciences | Λέξεις-κλειδιά: | Chemical bonds;Computer simulation;Elasticity;Silicon alloys;Monte Carlo method;Interpolation | Ημερομηνία Έκδοσης: | Αυγ-1996 | Πηγή: | Applied Surface Science,1996, vol. 102, pp. 12-16 | Volume: | 102 | Start page: | 12 | End page: | 16 | Περιοδικό: | Applied Surface Science | Περίληψη: | 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: | https://hdl.handle.net/20.500.14279/1633 | ISSN: | 01694332 | DOI: | 10.1016/0169-4332(96)00010-4 | Rights: | © Elsevier | Type: | Article | Affiliation: | University of Crete | Affiliation: | University of Crete Foundation for Research & Technology-Hellas (F.O.R.T.H.) |
| Εμφανίζεται στις συλλογές: | Άρθρα/Articles |
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