The bulk vacancy-formation energies of single crystals, with surface orientations of (111), (100) or (110), were calculated by using the embedded atom method and the empirical Sutton-Chen many-body potential. The calculations indicated that there was a significant difference in the bulk vacancy formation energies below the various surface orientations. Crystal with a (111) surface exhibited the highest bulk vacancy formation energy, while the crystal with the (110) surface exhibited the lowest bulk vacancy formation energy.

Calculated Bulk Vacancy Formation Energy for a Schottky Defect in Al Single Crystals. J.J.Terblans: Surface and Interface Analysis, 2003, 35[6], 548-51