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.
Similar content being viewed by others
References
M. S. Daw and M. I. Baskes, Phys. Rev. B,29, No. 12, 6443–6453 (1984).
S. M. Foiles, M. I. Baskes, and M. S. Daw, Phys. Rev. B,33, No. 12, 7983–7991 (1986).
J. S. Nelson, M. S. Daw, and E. C. Sowa, Phys. Rev. B,39, No. 2, 1465–1473 (1989).
A. V. Berch, S. V. Eremeev, A. G. Lipnitskii, I. Yu. Sklyadneva, and E. V. Chulkov, Fiz. Tverd. Tela,36, No. 10, 2935–2949 (1994).
A. V. Bertsch, E. V. Chulkov, S. V. Eremeev, et al., Vacuum,46, No. 5/6, 625–628 (1995).
P. A. Gravil and S. Holloway, Surf. Sci.,310, 267–272 (1994).
P. J. Feibelman, J. S. Nelson, and G. L. Kellogg, Phys. Rev. B,49, No. 15, 10548–10556 (1994).
R. Stumpf and M. Scheffler, Phys. Rev. Letters,72, No. 2, 254–257 (1994).
M. Karimi, T. Tomkowski G. Vidali, and O. Biham, Phys. Rev. B,52, No. 7, 5364–5374 (1995).
C. Lee, G. T. Barkema, M. Breeman, et al., Surf. Sci. Letters,306, 575–578 (1994).
L. D. Roelofs, S. M. Foiles, M. S. Daw, and M. I. Baskes, Surf. Sci.,235, 63–71 (1990).
P. R. Schwebel, S. M. Foiles, C. L. Bisson, and G. L. Kellogg, Phys. Rev. B,40, No. 15, 10639–10642 (1989).
M. Karimi and M. Mostoller, Phys. Rev. B,45, No. 11, 6289–6297 (1992).
Additional information
V. D. Kuznetsov Siberian Physicotechnical Institute at Tomsk State University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 62–73, March, 1997.
Rights and permissions
About this article
Cite this article
Eremeev, S.V., Lipnitskii, A.G., Potekaev, A.I. et al. Vacancies at the surfaces of F.C.C. metals. Russ Phys J 40, 276–284 (1997). https://doi.org/10.1007/BF02510829
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF02510829