AVS 45th International Symposium
    Surface Science Division Thursday Sessions
       Session SS1+NS-ThM

Paper SS1+NS-ThM5
Growth on Cu(100) Using Improved Simulation Algorithm@footnote 1@

Thursday, November 5, 1998, 9:40 am, Room 308

Session: Growth and Thin Films
Presenter: J.G. Amar, University of Toledo
Authors: J.G. Amar, University of Toledo
M.R. D'Orsogna, University of Maryland, College Park
T.L. Einstein, University of Maryland, College Park
I. Beichl, National Institute of Standards and Technology
F. Sullivan, Center for Computing Sciences
Correspondent: Click to Email
We have developed a novel Monte Carlo scheme to simulate homoepitaxial growth on (100) surfaces of sc and fcc crystals, using tree and list structures. We have applied it to the specific case of Cu, in both the submonolayer and multilayer growth regimes. Energy barriers were calculated using Effective Medium Theory, and diffusive processes were grouped into 4 classes. The effect of an Ehrlich-Schwoebel barrier was also considered. For the submonolayer regime at 213 K, we find reasonable agreement with experimental results@footnote 2@ for the scaling of the island density as a function of the ratio of diffusion and deposition rates. For multilayer growth at 160 K we find good quantitative and qualitative agreement with experimental results@footnote 3@ for the width as a function of coverage. In particular, the width exponent ß agrees with the experimentally reported value. At higher temperatures (T=200 K), our simulations underestimate the exponent ß. Presumably a new diffusion channel becomes important. We have tried several single-atom processes, e.g. up-stairs climbing and biased upward and downward funneling, but none improve agreement significantly. The initial surface morphology may also exert an important influence on ß at high coverages. We are currently investigating the effects of different initial growth conditions such as a slightly rough or stepped substrate. @FootnoteText@ @footnote 1@Work partly supported by DoD; MRD and TLE primarily supported by NSF MRSEC grant DMR 96-32521. @footnote 2@A. Swan, Z.P. Shi, J.F. Wendelken, and Z. Zhang, Surface Sci. 391, L1205 (1997). @footnote 3@H.J. Ernst, F. Fabre, R. Folkerts, and J. Lapujoulade, Phys. Rev. Lett. 72, (1994); JVSTA 12, 1809 (1994).