Quasicontinuum Monte Carlo: A method for surface growth simulations

We introduce an algorithm for treating growth on surfaces which combines important features of continuum methods (such as the level-set method) and kinetic Monte Carlo (KMC) simulations. We treat the motion of adatoms in continuum theory, but attach them to islands one atom at a time. The technique is borrowed from the dielectric breakdown model. Our method allows us to give a realistic account of fluctuations in island shape, which is lacking in deterministic continuum treatments and which is an important physical effect. Our method should be most important for problems close to equilibrium where KMC becomes impractically slow.

[1]  S. Osher,et al.  Level-set methods for the simulation of epitaxial phenomena , 1998 .

[2]  A. Barabasi,et al.  Fractal concepts in surface growth , 1995 .

[3]  L. Sander,et al.  Scaling and Crossovers in Diffusion Limited Aggregation , 1999, cond-mat/9909040.

[4]  Theis,et al.  Nucleation in Si(001) homoepitaxial growth. , 1996, Physical review letters.

[5]  Schroeder,et al.  Fractal growth of two-dimensional islands: Au on Ru(0001). , 1991, Physical review letters.

[6]  Ellen D. Williams,et al.  Steps on surfaces: experiment and theory , 1999 .

[7]  Tsui,et al.  Morphology transition and layer-by-layer growth of Rh(111). , 1996, Physical review letters.

[8]  C. Rottman,et al.  Exact equilibrium crystal shapes at nonzero temperature in two dimensions , 1981 .

[9]  Zangwill,et al.  Morphological instability of a terrace edge during step-flow growth. , 1990, Physical review. B, Condensed matter.

[10]  J. Tsao,et al.  Materials Fundamentals of Molecular Beam Epitaxy , 1992 .

[11]  D. Kinderlehrer,et al.  Morphological Stability of a Particle Growing by Diffusion or Heat Flow , 1963 .

[12]  A continuum model for the growth of epitaxial films , 2001 .

[13]  J. Langer Instabilities and pattern formation in crystal growth , 1980 .

[14]  Zhang,et al.  Dynamic scaling of growing interfaces. , 1986, Physical review letters.

[15]  Ronald Fedkiw,et al.  A level set method for thin film epitaxial growth , 2001 .

[16]  L. Sander,et al.  Diffusion-limited aggregation, a kinetic critical phenomenon , 1981 .

[17]  J. Hammersley,et al.  Monte Carlo Methods , 1965 .

[18]  L. Pietronero,et al.  Fractal Dimension of Dielectric Breakdown , 1984 .

[19]  Chi-Hang Lam,et al.  Competing roughening mechanisms in strained heteroepitaxy: a fast kinetic Monte Carlo study. , 2002, Physical review letters.

[20]  P. Smereka,et al.  Coupling kinetic Monte-Carlo and continuum models with application to epitaxial growth , 2003 .

[21]  R. Caflisch,et al.  Level-set method for island dynamics in epitaxial growth , 2002 .

[22]  T. Einstein,et al.  Unified view of step-edge kinetics and fluctuations , 1998 .