Nucleation of diamond on {111} surfaces of cubic boron nitride by CVD

摘要

Nucleation of diamond on hydrogenated {111} surfaces of c-BN cluster is investigated using the semiempirical molecular orbital method of AMI approximation.The heat of formation (HOP) at the first stage of growth has been calculated as a function of the charge given to clusters.The binding energies between gases (H,CH,CH_2,CH_3,C,and C_2) and c-BN have been calculated using the values of HOP and the important gases in the nucleation have been studied based on the nucleation theory.The CH and CH2 adsorbed on the {111}B surfaces exert positive influence on the nucleation by positive charges (+1 and +2),a pulsed positive charge (+1),and an alternating charge (+1 and -1) biased to the substrate.However,the abstractions of the H atoms from the {111}N surfaces are impeded because frontier orbitals of gases interact less effectively with frontier orbitals of the surface hydrogen atoms.