Springer Nature is making SARS-CoV-2 and COVID-19 research free. View research | View latest news | Sign up for updates

Thin layers of aluminium: A molecular orbital study

  • 25 Accesses

  • 1 Citations

Abstract

Molecular beam epitaxy has been used to prepare thin layers (200 nm thickness) of aluminium grown either on aluminium or gallium arsenide substrates; their He(I) and He(II) photoelectron spectra have been recorded. The quasirelativistic CNDO/1 method has been applied to investigate the band structure of {Al}172, {Al}284 and {Al}424 clusters obtained by a duplication of the unit cell: the DOS profiles and their projections were generated. These data were correlated with the periodic crystal orbitals of the EHT quality. The first excitation energy serves as a better estimate of the vanishing energy gap showing thus a metallic character of aluminium.

This is a preview of subscription content, log in to check access.

References

  1. [1]

    Ploog K.:in Crystals, Growth, Properties, and Applications, Vol. 3. Springer, Berlin, 1980.

  2. [2]

    Donohue J.: The Structures of the Elements. Wiley, New York, 1974, p. 302.

  3. [3]

    Kovačič I., Faktor D., Harman R., Veselý M., Benkovský I., Gaži M., Németh Š., and Redhammer R.: Elektrotechnický časopis42 (1991) 11.

  4. [4]

    Kovačič I., Faktor D., Harman R., Veselý M., Benkovský I., Gaži M., Németh Š., and Redhammer R.: Elektrotechnický časopis43 (1992) 87.

  5. [5]

    Boča R., Benkovský I., and Benco L'.: Czech. J. Phys.42 (1992) 1005.

  6. [6]

    Boča R.: Int. J. Quantum Chem.31 (1987) 941.

  7. [7]

    Boča R.: Program MOSEM7. Slovak Technical University, Bratislava, 1988.

  8. [8]

    Boča R., Hajko P., and Benco L'.: Czech. J. Phys.42 (1992) 685.

  9. [9]

    Boča R., Hajko P., Benco L'., Benkovský I., and Faktor D.: Czech. J. Phys.43 (1993) 813.

  10. [10]

    Hoffmann R.: Solids and Surfaces: A Chemist's View of Bonding in Extended Structures. VCH Publishers, New York, 1988.

  11. [11]

    Whangbo M.-H., Evain M., Hughbanks T., Kertesz M., Wijeyesekera S., Wilker C., Zheng C., and Hoffmann R.: Program EHMACC. Quantum Chemistry Program Exchange 571 (1988).

  12. [12]

    Papaconstantopoulos D. A.: Handbook of the Band Structure of Elemental Solids. Plenum Press, New York, 1986.

  13. [13]

    Moruzzi V. L., Janak J. F., and Williams A. R.: Calculated Electronic Properties of Metals. Pergamon, New York, 1978.

Download references

Author information

Rights and permissions

Reprints and Permissions

About this article

Cite this article

Boča, R., Benkovský, I., Faktor, D. et al. Thin layers of aluminium: A molecular orbital study. Czech J Phys 44, 585–593 (1994). https://doi.org/10.1007/BF01689606

Download citation

Keywords

  • Aluminium
  • Thin Layer
  • Gallium
  • Excitation Energy
  • Band Structure