Structural properties of amorphous SiC via ab-initio molecular dynamics

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. © 1991 Elsevier Science Publishers B.V. All rights reserved.