Stress reduction in cubic boron nitride by oxygen addition: Explanation of the mechanism by ab-initio simulations

►Experimentally, there is significantly lower stress in c-BN:O compared to c-BN. ►Oxygen occupies part of the N positions in the BN lattice. ►If N (or B) ion is implanted next to a lattice O atom, the atoms exchange places. ►O diffuses away, N (or B) does not (N lattice sites can be occupied by N2 pairs). ►Thus, the compressive stress generated by implanted atoms decreases.