Formation energies of two-dimensional nuclei randomly-generated on (001), (110), and (111) planes of a face-centered-cubic crystal

Monte-Carlo simulations of the two-dimensional crystal nucleus growth on (001), (110) and (111) crystal planes of a face-centeredcubic lattice have been conducted considering: (1) the adsorption of an atom from the surrounding gases, (2) its surface diffusion, (3) its annihilation, and (4) its being incorporated into the crystal nucleus. The energy of the formed nucleus was calculated using the bond-splitting model with reference to the energy of atoms at the half-crystal position and its dependence on the nucleus size were evaluated. The results implies that Pangarov's theory to explain the dependence of preferred orientation on the supersaturation might have to be amended in case above dynamic processes have a vital effect on the shape of nucleus of deposited thin films.