Skip to main content
SpringerLink
Log in
Book cover

Applied Computational Materials Modeling pp 391–414Cite as

Frontiers in surface analysis: Experiments and modeling

  • Chapter

  • 2891 Accesses

Abstract

Due to the extensive research performed over the past three decades, we have gained considerable insight into the properties of metal and semiconductor surfaces. Much less effort has been devoted to the study of more complex surfaces, like alloy and oxide surfaces, even though they are technologically relevant. In this chapter we will discuss how the combination of experimental techniques (STM and H2 diffraction) and computational modeling can be applied to characterize the composition, structure and electronic properties of some complex surfaces, like O/Ru(001), NiAl(110), Fe/Cu(100), Fe/Cu(111) and Fe4N(100).

This is a preview of subscription content, log in via an institution.

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   129.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD   169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. See for instance the volume. Surf. Sci. 500, (2002).

    Google Scholar 

  2. See the series of articles in Nature 437, (2005) pp. 638–671.

    Google Scholar 

  3. J.J. de Miguel, J. Camarero and R. Miranda, J. Phys.: Condens. Matter 14, 6155 (2002).

    Article  Google Scholar 

  4. S.A. Chambers, Surf. Sci. Rep. 39, 105 (2000).

    Article  CAS  Google Scholar 

  5. T. Engel and K. H. Rieder, Surf. Sci. 109, 140 (1981).

    Article  CAS  Google Scholar 

  6. M. Faubel et al., J. Chem. Phys. 101, 8800 (1994); D. R. Miller, in Atomic and Molecular Beam Methods, edited by G. Scoles (Oxford University Press, New York, 1988), Vol. I, pp. 14–53.

    Article  CAS  Google Scholar 

  7. D. Farías, R. Miranda and K. H. Rieder, J. Chem. Phys. 117, 2255 (2002).

    Article  Google Scholar 

  8. A.L. Vázquez de Parga, O. S. Hernán, R. Miranda, A. Levy Yeyati, N. Mingo, A. Martí-Rodero, and F. Flores, Phys. Rev. Lett. 80, 357 (1998).

    Article  Google Scholar 

  9. G. Bozzolo and J. Garcés, in “The Chemical Physics of Solid Surfaces”, D. P. Woodruff ed., Vol. 10, Elsevier (2002).

    Google Scholar 

  10. J. R. Smith, T. Perry, A. Banerjea, J. Ferrante and G. Bozzolo, Phys. Rev. B 44, 6444 (1991).

    Article  CAS  Google Scholar 

  11. P. Blaha, K. Schwartz, J. Luitz, WIEN97, Vienna University of Technology. Updated Unix version of the copyrighted WIEN code, P. Blaha, K. Schwartz, P. Sorantin, S. B. Trickey, Comput. Phys. Commun. 59, 399 (1999).

    Article  Google Scholar 

  12. E.W. Plummer, R. Ismail, A. Matzdorf, A.V. Melechko, J.P. Pierce and J. Zhang, Surf. Sci. 500, 1 (2002).

    Article  CAS  Google Scholar 

  13. N. D. Lang, Phys. Rev. Lett. 56, 1164 (1986).

    Article  Google Scholar 

  14. J. Jacobsen, B. Hammer, K. W. Jacobsen and J. K. Norskov, Phys. Rev. B 52, 14954 (1995).

    Article  CAS  Google Scholar 

  15. P. Sautet, J. Dunphy, D.F. Ogletree and M. Salmeron, Surf. Sci. 295, 347 (1993).

    Article  CAS  Google Scholar 

  16. W. Hofer, Prog. Surf. Sci. 71, 147 (2003).

    Article  CAS  Google Scholar 

  17. U. Diebold, J.F. Anderson, K-O. Ng and D. Vanderbilt, Phys. Rev. Lett. 77, 1322 (1996).

    Article  CAS  Google Scholar 

  18. D. Novak, E. Garfunkel and T. Gustafsson, Phys. Rev. B 50, 5000 (1994).

    Article  CAS  Google Scholar 

  19. U. Diebold, J. Lehman, T. Mahmoud, M. Kuhn, W. Hebenstreit, G. Leonardelli, M. Schmidt and P. Varga, Surf. Sci. 411, 137 (1998).

    Article  CAS  Google Scholar 

  20. H. Over, Y. D. Kim, A.P. Seitsonen, S. Wendt, E. Lundgren, M. Schmidts, P. Varga, A. Morgante and G. Ertl, Science 287, 1474 (2000).

    Article  CAS  Google Scholar 

  21. H. Over, A.P. Seitsonen, E. Lundgren, M. Schmidt and P. Varga, Surf. Sci. 515, 143 (2002).

    Article  CAS  Google Scholar 

  22. R. Schaub, P. Thostrup, N. Lopez, E. Laesgaard, I. Stensgaard, J. Norskov and F. Besenbacher, Phys. Rev. Lett. 87, 266104 (2001).

    Article  CAS  Google Scholar 

  23. R. Schaub, E. Wahlstrom, A. Ronau, E. Laesgaard, I. Stensgaard and F. Besenbacher, Science 299, 377 (2003).

    Article  CAS  Google Scholar 

  24. F. Calleja, A. Arnau, J.J. Hinarejos, A.L. Vázquez de Parga, W.A. Hofer, P.M. Echenique and R. Miranda, Phys. Rev. Lett. 92, 20610 (2004).

    Article  Google Scholar 

  25. M. Lindroos, H. Pfnür, G. Held and D. Menzel, Surf. Sci. 222, 451 (1989).

    Article  CAS  Google Scholar 

  26. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993); ibid 49, 14251 (1994).

    Article  CAS  Google Scholar 

  27. G. Kresse and J. Furthmüller, Comput. Matter Sci. B 6, 15 (1996); and Phys. Rev. B 54, 11169 (1994).

    Article  CAS  Google Scholar 

  28. J. P. Perdew et al., Phys. Rev. B 46, 6671 (1992).

    Article  CAS  Google Scholar 

  29. J. Bardeen, Phys. Rev. Lett. 6, 57 (1961).

    Article  CAS  Google Scholar 

  30. N. Lang, Comments Cond. Mat. Phys. 5, 253 (1989).

    Google Scholar 

  31. C. Corriol, F. Calleja, A. Arnau, J.J. Hinarejos, A.L. Vázquez de Parga, W.A. Hofer, and R. Miranda, Chem. Phys. Lett. 405, 131 (2005).

    Article  CAS  Google Scholar 

  32. D. Farías and K. H. Rieder, Rep. Prog. Phys. 61, 1575 (1998).

    Article  Google Scholar 

  33. D. Farías, M. Patting and K. H. Rieder, J. Chem. Phys. 117, 1797 (2002).

    Article  Google Scholar 

  34. M. Bertino and D. Farías, J. Phys. C 14, 6037 (2002).

    CAS  Google Scholar 

  35. W. A. Diño, H. Kasai, A. Okiji, N.B. Arboleda, K. Fukutani, T. Okano, T. Okano, D. Farías and K. H. Rieder, J. Vac. Soc. Japan 46, 391 (2003).

    Google Scholar 

  36. D. Farías, R. Miranda, K. H. Rieder, W. A. Diño, K. Fukutani, T. Okano, H. Kasai and A. Okiji, Chem. Phys. Lett. 359, 127 (2002).

    Article  Google Scholar 

  37. C. Díaz, H. F. Busnengo, P. Riviere, A. Salin, F. Martín, P. Nieto and D. Farías, Physica Scripta T110, 394 (2004).

    Article  Google Scholar 

  38. D. Farías, C. Díaz, P. Nieto, A. Salin and F. Martín, Chem. Phys. Lett. 390, 250 (2004).

    Article  Google Scholar 

  39. D. Farías, C. Díaz, P. Riviere, H.F. Busnengo, P. Nieto, M.F. Somers, G.J. Kroes, A. Salin and F. Martín, Phys. Rev. Lett. 93, 246104 (2004).

    Article  Google Scholar 

  40. P. Nieto, E. Pijper, D. Barredo, G. Laurent, R.A. Olsen, E.J. Kroes, and D. Farías, Science 312, 86 (2006).

    Article  CAS  Google Scholar 

  41. P. Riviere, H.F. Busnengo, and F. Martín, J. Chem. Phys. 121, 751 (2004).

    Article  CAS  Google Scholar 

  42. J. Thomassen, F. May, M. Wuttig and H. Ibach, Phys. Rev. Lett. 69, 3831 (1992).

    Article  CAS  Google Scholar 

  43. S. Müller et al., Phys. Rev. Lett. 74, 765 (1995).

    Article  Google Scholar 

  44. A. Biedermann, M. Schmid and P. Varga, Phys. Rev. Lett. 86, 464 (2001).

    Article  CAS  Google Scholar 

  45. A. Biedermann, R. Tscheling, M. Schmid and P. Varga, Phys. Rev. Lett. 87, 086103 (2001).

    Article  CAS  Google Scholar 

  46. V. L. Moruzzi, P.M. Marcus and J. Kübler, Phys. Rev. B 39, 6957 (1989).

    Article  CAS  Google Scholar 

  47. D. Spisák and J. Hafner, Phys. Rev. B 61, 16129 (2000).

    Article  Google Scholar 

  48. D. Spisák and J. Hafner, Phys. Rev. Lett. 88, 056101 (2001).

    Article  Google Scholar 

  49. D. Chambliss and K. Johnson, Phys. Rev. B 50, 5012 (1994).

    Article  CAS  Google Scholar 

  50. D. Spisák and J. Hafner, Phys. Rev. B 64, 205422 (2001).

    Article  Google Scholar 

  51. F. Dulot, B. Kierren and D. Malterre, Surf. Sci. 494, 229 (2001).

    Article  CAS  Google Scholar 

  52. M. Klaua, H. Hoecher, H. Jenniches, J. Barthel and J. Kirschner, Surf. Sci. 381 (1997) 106.

    Article  CAS  Google Scholar 

  53. M. Passeggi Jr., J.E. Prieto, R. Miranda and J.M. Gallego, Surf. Sci. 462, 45 (2000).

    Article  CAS  Google Scholar 

  54. M. Passeggi Jr., J.E. Prieto, R. Miranda and J.M. Gallego, Phys. Rev. B 65, 035409 (2001).

    Article  Google Scholar 

  55. M.T. Kief and W.F. Egelhoff Jr. Phys. Rev. B 47, 10785 (1993).

    Article  CAS  Google Scholar 

  56. Th. Detzel and N. Memmel, Phys. Rev. B, 49, 5599 (1994).

    Article  CAS  Google Scholar 

  57. J. de la Figuera, J.E. Prieto, C. Ocal and R. Miranda, Phys. Rev. B 47, 13043 (1993).

    Article  Google Scholar 

  58. J. de la Figuera, J.E. Prieto, C. Ocal and R. Miranda, Surf. Sci. 307–309, 538 (1994).

    Google Scholar 

  59. J. de la Figuera, J.E. Prieto, G. Kostka, S. Müller, C. Ocal, R. Miranda, and K. Heinz, Surf. Sci. 349, L139 (1996).

    Google Scholar 

  60. L. Gómez, C. Slutzky, J. Ferrón, J. de la Figuera, J. Camarero, A.L. Vázquez de Parga, J.J. de Miguel, and R. Miranda, Phys. Rev. Lett. 84, 4397 (2000).

    Article  Google Scholar 

  61. S. Titmuss, A. Wander and D. A. King Chem. Rev. 96, 1291 (1996).

    Article  CAS  Google Scholar 

  62. R. Matzdorf, Z. Fang, J. Zhang, T. Kimura, Y. Tokura, K. Terakura and E. W. Plumme, Science 289, 746 (2000).

    Article  CAS  Google Scholar 

  63. A. Zangwill, “Physics at Surface” (Cambridge University Press, 1988).

    Google Scholar 

  64. J.M. Gallego, S. Y. Grachev, D. M. Borsa, and D.O. Boerma, D. Ecija, and R. Miranda Phys. Rev. B 70, 115417 (2004).

    Article  Google Scholar 

  65. J.M. Gallego, S. Y. Grachev, M.C.S. Passeggi Jr., F. Sacharowitz, D. Ecija, R. Miranda, and D. O. Boerma, Phys. Rev. B 69, 121404(R) (2004).

    Article  Google Scholar 

  66. J.M. Gallego, D. O. Boerma, R. Miranda and F. Ynduráin, Phys. Rev. Lett. 95, 136102 (2005).

    Article  CAS  Google Scholar 

  67. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).

    Article  Google Scholar 

  68. J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Orderjon and D. Sanchez-Portal, J. Phys. Condens. Matt. 14, 2745 (2002).

    Article  CAS  Google Scholar 

  69. J. P. Perdew, K. Burke, M. Ernzerhof Phys. Rev. Lett. 77, 3865 (1996).

    Article  CAS  Google Scholar 

  70. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).

    Article  CAS  Google Scholar 

  71. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).

    Article  CAS  Google Scholar 

  72. J. H. Onuferko, D. P. Woodruff, and B. W. Holland, Surf. Sci. 87, 357 (1979).

    Article  CAS  Google Scholar 

  73. H. Onishi, T. Aruga, and Y. Iwasawa, Surf. Sci., 283, 213 (1993).

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Departmento de Física de la Materia Condensada and Instituto Nicoläs Cabrera, Universidad Autönoma de Madrid, Madrid, Spain

    Daniel Farías & Rodolfo Miranda

  2. Ohio Aerospace Institute, 22800 Cedar Point Rd., Cleveland, OH, 4412, USA

    Guillermo Bozzolo

  3. NASA Glenn Research Center, Cleveland, OH, 44135, USA

    Guillermo Bozzolo

  4. Centro Atömico Bariloche, 8400, Bariloche, Argentina

    Jorge Garcés

Authors
  1. Daniel Farías
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Guillermo Bozzolo
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Jorge Garcés
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Rodolfo Miranda
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Editors and Affiliations

  1. Ohio Aerospace Institute, Cleveland, OH, USA

    Guillermo Bozzolo

  2. NASA Glenn Research Center, Cleveland, OH, USA

    Ronadl D. Noebe  & Phillip B. Abel  & 

Rights and permissions

Reprints and permissions

Copyright information

© 2007 Springer Science+Business Media, LLC

About this chapter

Cite this chapter

Farías, D., Bozzolo, G., Garcés, J., Miranda, R. (2007). Frontiers in surface analysis: Experiments and modeling. In: Bozzolo, G., Noebe, R.D., Abel, P.B., Vij, D. (eds) Applied Computational Materials Modeling. Springer, Boston, MA. https://doi.org/10.1007/978-0-387-34565-9_12

Download citation

Publish with us

Policies and ethics

Search

Navigation