What are the possible structures for CNx compounds? The example of C3N

It has been proposed that carbon nitride compounds could present abnormal m echanical properties. Until now, these compounds have only been synthesized as amorphous films and the search for their structure is a live topic. Usi ng ab-initio calculations, we propose a few stable structures which could b e in dynamical equilibrium. We suggest that CNx (x = 0.33) structural arran gements dynamically equilibrate over the time which is necessary to perform a structural measurement and that mote than one structure could be needed to describe them. (C) 2000 Elsevier Science B.V. All rights reserved.