Molecular dynamics study of deposition mechanism of cubic boron nitride

Abstract

We have performed molecular dynamics simulations of bombardment of graphitic boron nitride (gBN) by energetic boron and nitrogen particles in order to examine the roles of ion bombardment in ion/plasma-assisted deposition of cubic boron nitride (cBN) thin films. We have found that the interaction of the energetic particles with gBN creates four-fold coordinated local structures (sp3-formation) inside gBN. We have also found that clusters of sp3-formations are created as a result of successive bombardment, some of which have cBN-like structures. On the basis of these results, we propose an atomic-scale model of cBN nucleation in which successive sp3-formation converts gBN into cBN.