| Abstract: | The vacancy formation energy is calculated using the inserted atom method for faces with high and low indices and in the near-surface atomic layers of aluminum, nickel, copper, palladium, silver, platinum, and gold. The transition of the calculated quantities to the bulk quantities is traced for successive insertion of a defect deeper into the near-surface layer of the material. The relaxation contribution to the energetics is revealed for each type of surface. A correlation is seen between the energies of formation at surfaces with high and low indices. V. D. Kuznetsov Siberian Physicotechnical Institute at Tomsk State University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 62–73, March, 1997. |
