Abstract
Using molecular dynamics simulations based on an effective potential in analogy to the tight-binding theory in the second-moment approximation, we have studied the vibrational behaviour of various 2D Cu islands on the Cu(111) surface. We found that, in the direction normal to the surface, the mean-square-displacements of the island atoms do not depend on the size of the island, but are increased by a factor of five in the in-plane directions. These findings are compatible with the behaviour of the cluster phonon modes. Indeed, we found that small islands introduce new vibrational modes that diminish with increasing cluster size beyond a certain critical size (N > N C ), eventually recovering the surface vibrational behaviour. This characteristic size, N C , coincides with the island size above which the migration energy of the island atoms saturates to the value of the step energy barrier.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Camarero, J., de la Figuera, J., de Miguel, J.J., Miranda, R., Alvarez, J. and Ferrer, S. (2000) Structural characterisation and homoepitaxial growth on Cu(111), Surf. Sci. 459, pp. 191–205.
Braun, J. and Toennies, J.P. (1996) A helium atom scattering study of ultrathin lead films grown on Cu(111), Surf. Set. 368, pp. 226–231.
Otop, H., Mroz, S. and Jankowski, Z. (1999) Silver ultrathin layer growth on the Cu(111) face at temperatures from 130 to 570 K, Vacuum 54, pp. 79–82.
Mroz, S., Jankowski, Z. and Nowicki, M. (2000) Growth and isothermal desorption of ultrathin silver layers on the Ni(111)face at the substrate temperature from 180 to 900 K, Surf. Sci. 454, pp. 702–706.
Stoltze, P. and Nørskov, J.K. (1993) Accommodation and diffusion of Cu deposited on flat and stepped Cu(111) surfaces, Phys. Rev. B 48, pp. 5607–5611.
Wollschlager, J., Schmidt, T., Henzler, M. and Larsson, M.I. (2000) Determination of diffusion energies on face-centred cubic(111) surfaces from diffraction experiments: A Monte Carlo study, Surf. Sci. 454, pp. 566–570.
Fallis, M.C., Daw, M.S. and Fong, C.Y. (1995) Energetics of small Pt clusters on Pt(111): Embedded-atom-method calculations and phenomenology, Phys. Rev. B 51, pp. 7817–7826.
Ferron, J., Gomez, L., Gallego, J.M., Camarero, J., Prieto, J.E., Cros, V., de Parga, A.L.V., de Miguel, J.J. and Miranda, R. (2000) Influence of surfactants on atomic diffusion, Surf. Sci. 459, pp. 135–148.
Boisvert, G., Lewis, L.J. and Scheffler, M. (1988) Island morphology and adatom self-diffusion on Pt(111), Phys. Rev. B 57, pp. 1881–1889.
Mohamed, H., Kesmodel, L.L., Hall, B.M. and Mills, D.L. (1988) Surface phonon dispersion on Cu(111), Phys. Rev. B 37, pp. 2763–2765.
Feydt, J., Elbe, A., Meister, G. and Goldmann, A. (2000) PAX and HREELS studies of the Pt (111)/Ag surface, Surf. Sci. 445, pp. 115–122.
Tolkes, C, David, R., Comsa, G. and Zeppenfeld, P. (1999) Influence of film structure on the surface vibrations of Co/Au(111), J. Elect. Spect. and Rel. Phenom. 105, pp. 37–42.
Stepanyuk, V.S., Bazhanov, D.I. and Hergert, W. (2000) Effect of impurities on surface stress on an atomic scale, Phys. Rev. B 62, pp. 4257–4260.
Brune, H. (1998) Microscopic view of epitaxial metal growth: Nucleation and aggregation, Surf. Sci. Rep. 31, pp. 125–229.
Nose, S. (1984) A molecular dynamics method for simulations in the canonical ensemble, Mol. Phys. 52, pp. 255–268.
Kallmteris, G.C., Evangelakis, G.A. and Papanicolaou, N.I. (1996) Molecular dynamics study of the vibrational and transport properties of copper adatoms on the (111) copper surface: Comparison with the (001) face, Surf. Sci. 369, pp. 185–198.
Loisel, B., Lapujoulade, J. and Pontikis, V. (1991) Cu(110)—Disorder and enhanced anharmonicity?—A computer simulation study of surface defects and dynamics, Surf. Sci. 256, pp. 242–252.
Papanicolaou, N.I., Lagaris, I.E. and Evangelakis, G.A. (1995) Modification of phonon spectral densities of the (001) copper surface due to copper adatoms by molecular dynamics simulation, Surf. Sci. 337, pp. L819–L824.
Dickey, J.M. and Paskin, A. (1970) Size and surface effects on the phonon properties of small particles, Phys. Rev. B 1, pp. 851–857.
Evangelakis, G.A., Vamvakopoulos, E., Pantelios D., and Papanicolaou, N.I. (1999) Coverage dependent self-diffusion on Cu(111) by molecular dynamics, Surf. Sci. 425, pp. L393–L399.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2002 Springer Science+Business Media Dordrecht
About this chapter
Cite this chapter
Vamvakopoulos, E., Evangelakis, G.A. (2002). Vibrational Properties of 2D Copper Islands on the CU(111) Surface by MD Simulations. In: Kotrla, M., Papanicolaou, N.I., Vvedensky, D.D., Wille, L.T. (eds) Atomistic Aspects of Epitaxial Growth. NATO Science Series, vol 65. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0391-9_12
Download citation
DOI: https://doi.org/10.1007/978-94-010-0391-9_12
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-0675-3
Online ISBN: 978-94-010-0391-9
eBook Packages: Springer Book Archive