Surface energy and surface self-diffusion of Al calculated by embedded atom method

In this work the surface energies of Al with different miller indices were calculated with an analytic long-range interaction embedded atom potential. The vacancy formation and migration energies of surface for Al (1 0 0), (1 1 0) and (1 1 1) planes were also calculated. The results show that the close-packed (1 1 1) surface has the lowest surface energy and the (1 1 0) surface has the largest surface energy. There is a significant difference among the vacancy formation energies between the different surfaces. The vacancy formation energy of the (1 1 1) surface is the highest, while that of the (1 1 0) surface is the lowest. This is consistent with the results of other theories. The Al self-diffusion by the vacancy mechanism and adatom mechanism on the surface is easier than that in the bulk