We have investigated a-SiC at stoichiometric composition at room temperature using a first principles molecular dynamics technique. This method has proven to be very successful in predicting a variety of properties of disordered systems, amongst them a-C and a-Si. From our results, we analyzed the short range order of the system, in particular whether it is chemically ordered or has a random distribution of Si-C bonds and the different kind of bonding configurations attained by the two species.
STRUCTURAL-PROPERTIES OF AMORPHOUS SiC VIA AB-INITIO MOLECULAR-DYNAMICS / F., Finocchi; G., Galli; M., Parrinello; Bertoni, Carlo Maria. - In: JOURNAL OF NON-CRYSTALLINE SOLIDS. - ISSN 0022-3093. - STAMPA. - 137:(1991), pp. 153-156.
STRUCTURAL-PROPERTIES OF AMORPHOUS SiC VIA AB-INITIO MOLECULAR-DYNAMICS
BERTONI, Carlo Maria
1991
Abstract
We have investigated a-SiC at stoichiometric composition at room temperature using a first principles molecular dynamics technique. This method has proven to be very successful in predicting a variety of properties of disordered systems, amongst them a-C and a-Si. From our results, we analyzed the short range order of the system, in particular whether it is chemically ordered or has a random distribution of Si-C bonds and the different kind of bonding configurations attained by the two species.
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