Cubic BN was synthesized from an hexagonal graphitic phase; with the synthesis conditions being affected by chemical or intrinsic defects. The electronic contribution to this defect dependence was investigated by applying an ab initio local-density approach to the simple defects: B, C, N and O. Energy differences between the c-BN and h-BN neutrally charged defect structures were related to the defect formation energies.

Influence of Defects on the h-BN to c-BN Transformation. T.E.Mosuang, J.E.Lowther: Physical Review B, 2002, 66[1], 014112 (5pp)