Diamond-Metal Interfaces and the Theory of Schottky Barriers

A self-consistent pseudopotential calculation of the diamond-metal interface is used to examine interface states and empirical correlation for the dependence of the Schottkybarrier height and interface index, $S$, on ionicity. The properties of diamond are crucial because of its large gap and zero ionicity. Predictions based on experimental extrapolations give $S\approx 0$. Our calculations give $S=0.4\mathrm{}$ and a barrier height of 2.2 eV; the latter is in good agreement with experiment.