Abstract
A Density Functional Pseudopotential method is used to compute the ionization potential IP of Sodium, Aluminium and Lead microparticles as a function of particle size. The model particles are formed by a central atom surrounded by successive coordination shells of first neighbours, second neighbours, etc. Maxima in IP are obtained for particles with filled coordination shells. The magnitude of IP correlates with the magnitude of the electron density in the region where the electron is extracted.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Int. Meeting on the small particles and inorganic clusters. J. Physi. (Paris)38, Suppl. C2 (1977)
Proc. 2nd Int. Meeting on the small particles and inorganic clusters. Borel, J.P., Buttet, J. (eds.): Surf. Sci.106, 1–608 (1981)
Iñiguez, M.P., Baladron, C., Alonso, J.A.: Surf. Sci.127, 367 (1983)
Baladron, C., Iñiguez, M.P., Alonso, J.A.: Solid State Commun.50, 549 (1984)
Hohenberg, P., Kohn, W.: Phys. Rev.136, B864 (1964)
Theory of the inhomogeneous electron gas. Lundqvist, S., March, N.H. (eds.). New York: Plenum Press 1983
Herrmann, A., Leutwyler, S., Schumacher, E., Wöste, L.: Helv. Chim. Acta61, 453 (1968)
Kappes, M.M., Kunz, R.W., Schumacher, E.: Chem. Phys. Lett.91, 413 (1982)
Peterson, K.I., Dao, P.D., Farley, R.W., Castleman, A.W., Jr.: J. Chem. Phys.80, 1780 (1984)
Delacrétaz, G., Fayet, P., Wöste, L.: Ber. Bunsenges. Phys. Chem.88, 284 (1984)
Saito, Y., Yamauchi, K., Mihama, K., Noda, T.: Jpn. J. Appl. Phys.21, L396 (1982)
Hermann, A., Schumacher, E., Wöste, L.: J. Chem. Phys.68, 2327 (1978)
Flad, J., Igel, G., Preuss, H., Stoll, H.: Ber. Bunsenges. Phys. Chem.88, 241 (1984)
Flad, J., Igel, G., Preuss, H.: J. Chem. Phys.71, 3042 (1979)
Flad, J., Stoll, H., Preuss, H.: J. Chem. Phys.71, 3042 (1979)
Koutecký, J., Pacchioni, G.: Ber. Bunsenges. Phys. Chem.88, 233 (1984)
Pacchioni, G., Koutecký, J.: Ber. Bunsenges. Phys. Chem.88, 242 (1984)
Schumacher, E., Kappes, M., Marti, K., Radi, P., Schär, M., Schidhalter, B.: Ber. Bunsenges. Phys. Chem.88, 220 (1984)
Cini, M., Catalysis, J.:37, 187 (1975)
Snider, D.R., Sorbello, R.S.: Solid State Commun.47, 845 (1983)
Beck, D.E.: Solid. State Commun.49, 4 (1984)
Ekardt, W.: Phys. Rev.B 29, 1558 (1984)
Martins, J.L., Car, R., Buttet, J.: Surf. Sci.106, 265 (1981)
Melius, C.F., Upton, T.H., Goddard III, W.A.: Solid State Commun.28, 501 (1978)
Upton, T.H., Goddard III, W.A., Medius, C.F., Vac, J.: Sci. Technol.16, 531 (1979)
Ashcroft, N.W.: Phys. Lett.23, 48 (1966)
Balbás, L.C., Las Heras, E., Alonso, J.A.: Z. Phys. A-Atoms and Nuclei305, 31 (1982)
Tal, Y., Bader, R.F.W.: Int. J. Quantum Chem. S12, 153 (1978)
March, N.H., Pucci, R.: J. Chem. Phys.75, 496 (1981)
Hoffman-Ostenhof, M., Hoffman-Ostenhof, T.: Phys. Rev. A16, 1782 (1977)
Tal, Y.: Phys. Rev. A18, 1781 (1978)
Michaelson, H.B.: IBM J. Res. Develop.22, 72 (1978)
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Baladron, C., Iñiguez, M.P. & Alonso, J.A. Density functional calculation of the ionization potentials of small metallic particles. Z. Physik B - Condensed Matter 59, 187–191 (1985). https://doi.org/10.1007/BF01725536
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF01725536