Modeling of microstructural evolution during thin-film deposition requires
a knowledge of several key activation energies (surface diffusion, island e
dge atom diffusion, adatom migration over descending step edges, etc.). The
se and other parameters must be known as a function of crystal orientation.
In order to generate values for these parameters, we have developed a nume
rical simulation in tandem with physical experiments. By tuning the simulat
ion to the results from experiments Lye can extract and verify approximate
values for these parameters. The numerical method we use is based upon the
level set method. Our model is a continuum model in directions parallel to
the crystal facet, and resolves each discrete atomic layer in the normal di
rection. The model includes surface diffusion, step edge dynamics, and atta
chment/detachment rates all of which may depend upon the local geometry of
the step edge. The velocity field for advancing the island edges in the lev
el set framework is generated by computing the equilibrium adatom density o
n the flat terraces resulting in Laplace's equation with mixed boundary con
ditions at the step edges. We have turned to the finite element method for
solving this equation, which results in very good agreement with analytical
ly known solutions and with experiment, (C) 2000 Academic Press.