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|Title:||Theory of electronic properties of amorphous silicon-carbon alloys: effects of short-range disorder||Authors:||Denteneer, P. J H
Kelires, Pantelis C.
|Keywords:||Carbon;Geometry;Monte Carlo method;Mathematical models;Silicon alloys;Molecular dynamics||Issue Date:||1993||Publisher:||Elsevier||Source:||Solid State Communications,1993, Volume 87, Issue 9, Pages 851-855||Abstract:||Homopolar (like-atom) bonding and thresfold carbon coordination are found to drastically affect the electronic properties of amorphous silicon-carbon alloys. First-principles pseudopotential calculations based on amorphous geometries obtained from Monte Carlo empirical simulations show that incorporating C in Si-rich samples, in tetrahedral arrangements with heteropolar bonds only, increases the energy gap. This tendency is drastically reversed in C-rich samples because of graphitelike geometries. Like-atom bonds, in samples of all compositions, reduce the gap as well. The maximum gap is reached in samples of near-stoichiometric composition.||URI:||http://ktisis.cut.ac.cy/handle/10488/7719||ISSN:||0038-1098||DOI:||http://dx.doi.org/10.1016/0038-1098(93)90428-P||Rights:||© 1993 Elsevier Ltd. All rights reserved.||Type:||Article|
|Appears in Collections:||Άρθρα/Articles|
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