Theoretical study of defects in \emph{c}-BC$_{2}$N

Periodic supercells with 64 atoms using a zincblende stoichiometry for \emph{c}-BC$_{2}$N are generated for various native point defects and random distribution of boron and carbon atoms in B-C-N compound. The atomic structures of these systems were relaxed by first-principles density functional theory. The elastic properties including the bulk modulus, shear modulus, and Young's modulus of the bulk \emph{c}-BC$_{2}$N crystals and the defective systems were examined and compared