On the stabilization of diamond relative to graphite by surfaces

Abstract

Bond counting, and calculations of entropy, bond, and bond angle strain have been used to evaluate the relative stability of diamond and graphite on various substrates for conditions that normally stabilize the graphite structure in bulk. Pseudomorphic and many metallic substrates that bond to carbon when clean are found to stabilize the diamond phase; others stabilize the graphite phase. If the relative thermodynamic stability governs the kinetics of growth under film deposition conditions, then an interesting prediction of the present research is that growth of diamond on {100} surfaces should proceed by formation of surface monolayers that alternately have graphite and diamond bonding configurations, and with the graphite monolayer converting to a diamond configuration when it becomes subsurface. The latter mode of growth should not occur in an atomic hydrogen atmosphere, nor should it occur on {111} surfaces.