Band and Cluster Models for Alkali-Semiconductor Surfaces

  • I. P. Batra
Part of the NATO ASI Series book series (NSSB, volume 283)


Numerous investigations1–4 have been carried out recently for understanding the nature of interaction of alkali metals (AM) with semiconductor surfaces. The Si(001)-2×1 substrate has attracted much attention because this is among one of the few surfaces which can be driven into a negative electron affinity5,6 (NEA) state. It is somewhat ironic that even after many total energy calculations, both based on band theoretic7–11 and cluster model approaches,12–15 no consensus exists regarding the optimum adsorption site.


Alkali Metal Alkali Metal Atom Band Calculation Negative Electron affinityS Core Level Shift 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    For a number of comprehensive articles, see, “Metallization and Metal-Semiconductor Interfaces,” NATO ASI series B Vol. 195, Plenum, New York, (1989), I. P. Batra, Editor.Google Scholar
  2. 2.
    I. P. Batra, Prog. Surf. Sci. 25:175 (1987).Google Scholar
  3. 3.
    I. P. Batra, J. Chimie Phys. 86:689 (1989).Google Scholar
  4. 4.
    H. P. Bonzel, A. M. Bradshaw, and G. Ertl, eds., “Physics and Chemistry of Alkali Metal Adsorption,” Elsevier, New York, (1989).Google Scholar
  5. 5.
    R. U. Martinelli, Appl. Phys. Lett. 16:261 (1970);CrossRefGoogle Scholar
  6. 5a.
    R. U. Martinelli and D. G. Fisher, Proc. IEEE 62:1339 (1974).CrossRefGoogle Scholar
  7. 6.
    T. Abukawa, Y. Enta, T. Kashiwakura, S. Suzuki, and S. Kono, J. Vac. Sci. Technol. A8:3205 (1990).Google Scholar
  8. 7.
    M Tsukada/H. Ishida, and N. Shima, Phys. Rev. Lett. 53:376 (1984);CrossRefGoogle Scholar
  9. 7a.
    H. Ishida, N. Shima, and M. Tsukada, Phys. Rev. B 32:6236 (1985); Also see Reference 1.CrossRefGoogle Scholar
  10. 8.
    S. Ciraci and I. P. Batra, Phys. Rev. Lett, 56:877 (1986);CrossRefGoogle Scholar
  11. 8a.
    S. Ciraci and I. P. Batra, Phys. Rev, B 37:2955(1988); Also see Reference 1.CrossRefGoogle Scholar
  12. 9.
    R. Ramirez, Phys. Rev. B 40:3962 (1989).CrossRefGoogle Scholar
  13. 10.
    I. P. Batra, Phys. Rev. B 39:3919 (1989);CrossRefGoogle Scholar
  14. 10a.
    I. P. Batra, J. Vac. Sci. Technol. A8:3425 (1990); Phys. Rev. B May 15, 1991 issue (in press).Google Scholar
  15. 11.
    H. Ishida and K. Terakura, Phys. Rev. B 40:11519 (1989); K. Kobayashi, K. Terakura, and S. Blügel, (to be published).CrossRefGoogle Scholar
  16. 12.
    P. S. Bagus and I. P. Batra, Surf. Sci. 206:L895 (1988);CrossRefGoogle Scholar
  17. 12a.
    I. P. Batra and P. S. Bagus, J. Vac. Sci. Technol. A6:600 (1988).Google Scholar
  18. 13.
    Y. Ling, A. J. Freeman, and B. Deliey, Phys, Rev. B 39:10144 (1989).CrossRefGoogle Scholar
  19. 14.
    C. K. Ong, J. Phys: Condens. Matter 2:6731 (1989).CrossRefGoogle Scholar
  20. 15.
    A. J. Freeman, S. Tang, S. H. Chou, Y. Ling, and B. Delley, (to be published).Google Scholar
  21. 16.
    R. V. Kasowski and M. H. Tsai, Phys. Rev. Lett. 60:546 (1988);CrossRefGoogle Scholar
  22. 16a.
    See response to this comment by S. Ciraci and I. P. Batra, ibid., 60:547, (1988).CrossRefGoogle Scholar
  23. 17.
    P. Soukiassian, M. H. Bakshi, Z. Hurych, and T. M Gentle, Surf. Sci. 221:L759 (1989).CrossRefGoogle Scholar
  24. 18.
    E. M. Oellig and R. Miranda, Surf. Sci. 177:L947 (1986).;CrossRefGoogle Scholar
  25. 18a.
    E. M. Oellig, E. G. Michel, M. C. Asensio, R. Miranda, J. C. Duran, A. Munoz, and F. Flores, Europhy. Lett. 5:727 (1988);CrossRefGoogle Scholar
  26. 18b.
    J. E. Ortega, E. M Oellig, J. Ferron, and R. Miranda, Phys. Rev. B 36:6213 (1987); Also see Reference 1.CrossRefGoogle Scholar
  27. 19.
    I. Langmuir, Phys. Rev. 43:224 (1933).CrossRefGoogle Scholar
  28. 20.
    R. W. Gurney, Phys. Rev. 47:479 (1935).CrossRefGoogle Scholar
  29. 21.
    N. D. Lang, Phys. Rev. B 4:4234 (1971).CrossRefGoogle Scholar
  30. 22.
    J. P. Muscat and I. P. Batra, Phys. Rev. B 34:2889 (1986).;CrossRefGoogle Scholar
  31. 22a.
    Also see P. A. Serena, J. M. Soler, N. Garcia, and I. P. Batra, Phys. Rev. B 36:3452 (1987).CrossRefGoogle Scholar
  32. 23.
    I. P. Batra and S. Ciraci, Phys. Rev. B 33:4313 (1986).CrossRefGoogle Scholar
  33. 24.
    G. M. Lamble, R. S. Brooks, and D. A. King, and D. Norman, Phys. Rev. Lett. 61:1112 (1988).CrossRefGoogle Scholar
  34. 25.
    E. Wimmer, A. J. Freeman, J. R. Hiskes, and A. M. Karo, Phys. Rev, B 28:3074 (1983);CrossRefGoogle Scholar
  35. 25a.
    H. Ishida and K. Terakura, Phys. Rev. B 38:5752 (1988).CrossRefGoogle Scholar
  36. 26.
    H Tochihara, Surf. Sci. 126:523 (1983);CrossRefGoogle Scholar
  37. 26a.
    T. Aruga, IL Tochihara, Y. Murata, Phys. Rev. Lett. 53:372 (1984);CrossRefGoogle Scholar
  38. 26b.
    H. Tochihara, M. Kubota, M. Miyao, and Y. Murata, Surf. Sci. 158:497 (1985); Y. Murata, H. Tochihara, and M. Kubota, in Ref. 1.CrossRefGoogle Scholar
  39. 27.
    J. D. Levine, Surf. Sci. 34:90 (1973).CrossRefGoogle Scholar
  40. 28.
    T. Hashizume, Y. Hasegawa, I. Kamiya, T. Ide, I. Sumita, S. Hyodo, H. Tochihara, M. Kumota and Y. Murata, J.Vac. Sci. Technol. A8:233 (1990).Google Scholar
  41. 29.
    Y. Hasegawa, I. Kamiya, T. Hashizume, T. Sakurai, H. Tochihara, M. Kubota, and Y. Murata, Phys. Rev. B 41:9688 (1990).CrossRefGoogle Scholar
  42. 30.
    I. P. Batra, Phys. Rev. B 42:9162 (1990);CrossRefGoogle Scholar
  43. 30a.
    I. P. Batra, Surf. Sci. 242:354 (1991).CrossRefGoogle Scholar
  44. 31.
    J. Ihm, A. Zunger, and M. L. Cohen, J. Phys. C12:4409 (1979).Google Scholar
  45. 32.
    I. P. Batra and S. Ciraci, (to be published).Google Scholar
  46. 33.
    F. F. Abraham and I. P. Batra, Surf. Sci. 163:L752 (1985);CrossRefGoogle Scholar
  47. 33a.
    I. P. Batra, Phys, Rev. B 41:5048 (1990).CrossRefGoogle Scholar
  48. 34.
    C. H. Wei, H. Huang, S. Y. Tong, G. S. Glander, and M. B. Webb, Phys. Rev. B 42:11284 (1990).CrossRefGoogle Scholar
  49. 35.
    S. T. Kim, S. Kapoor, Z. Hurych, L. Barbier, P. Soukiassian, (to be published).Google Scholar
  50. 36.
    B. Reihl and K. O. Magnusson, Phys. Rev. B 42:11839 (1990); Also see I. P. Batra and S. Ciraci, Phys Rev. B 37:8432 (1988).Google Scholar
  51. 37.
    Y. Morikawa, K. Kobayashi, K. Terakura, and S. Blügel, (to be published).Google Scholar
  52. 38.
    S. Tanaka, N. Takagi, N. Minami, and M. Nishijima, Phys. Rev. B 42:1868 (1990).CrossRefGoogle Scholar
  53. 39.
    G. Brocks, P. J. Kelly, and R. Car, Phys. Rev. Lett. 66:1729 (1991).CrossRefGoogle Scholar
  54. 40.
    M. T. Yin and M. L. Cohen, Phys. Rev. B 24:2303 (1981);CrossRefGoogle Scholar
  55. 40a.
    D.J. Chadi, Phys. Rev. Lett. 43:43 (1979);CrossRefGoogle Scholar
  56. 40b.
    K. C. Pandey, “Troc. 17th Intl. Conf. Phys. Semiconductor Conf,” Springer, Berlin (1984).Google Scholar
  57. 41.
    T. Kendelewicz, P. Soukiassian, R. S. List, J. C. Woicik, P. Pianetta, I. Lindau, and W. E. Spicer, Phys. Rev. B 37:7115 (1988).CrossRefGoogle Scholar
  58. 42.
    Y. Enta, T. Kinoshita, S. Suzuki, and S. Kono, Phys. Rev. B 36:9801 (1987);CrossRefGoogle Scholar
  59. 42a.
    Y. Enta, T. Kinoshita, S. Suzuki, and S. Kono, Phys. Rev. B 39:1125 (1989);CrossRefGoogle Scholar
  60. 42b.
    Y. Enta, S. Suzuki, S. Kono, and T. Sakamoto, Phys. Rev. B 39:5524 (1989).CrossRefGoogle Scholar
  61. 43.
    T. Abukawa and S. Kono, Phys. Rev. B 37:9097 (1988).CrossRefGoogle Scholar
  62. 44.
    T. Makita, S. Kohmoto, and A. Ichimiya, Surf. Sci. 242:65 (1991).CrossRefGoogle Scholar
  63. 45.
    D. M. Riffe, G. K. Wertheim, J. E. Rowe, and P. H. Citrin, (to be published).Google Scholar
  64. 46.
    D. A. King, In these Proceedings.Google Scholar
  65. 47.
    O. Bisi, S. Ossicini, and C. Arcangeli, In these Proceedings; S. Ossicini, C. Arcangeli, and O. Bisi, Phys. Rev. B 42:7671 (1990).CrossRefGoogle Scholar
  66. 48.
    See for example, “Symposium on Alkali Metal-Surface Interactions,” Bull. Am Phys. Soc. 36:952 (1991).Google Scholar
  67. 49.
    An excellent overview is given by J. R. Schrieffer, in “Highlights of Condensed Matter Theory,” LXXXIX Corso Soc. Italiana di Fisica, Bologna, Italy, 1985, edited by F. Bassani, F. Fumi, and M. P. Tosi (Elsevier, New York, 1985).Google Scholar
  68. 50.
    R. E. Peierls, “Quantum Theory of Solids,” 1st ed. (Oxford University Press, Oxford, UK, 1955).Google Scholar

Copyright information

© Plenum Press, New York 1992

Authors and Affiliations

  • I. P. Batra
    • 1
  1. 1.IBM Research DivisionAlmaden Research Center K62/282San JoseUSA

Personalised recommendations