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From Initial to Late Stages of Epitaxial Thin Film Growth: STM Analysis and Atomistic or CoarseGrained Modeling
Chemistry Conference Papers, Posters and Presentations
  • James W. Evans, Iowa State University
  • Yong Han, Iowa State University
  • Barış Ünal, Iowa State University
  • Maozhi Li, Iowa State University
  • K. J. Caspersen, Iowa State University
  • Dapeng Jing, Iowa State University
  • Anthony R. Layson, Iowa State University
  • C. R. Stoldt, Iowa State University
  • T. Duguet, Iowa State University
  • Patricia A. Thiel, Iowa State University
Document Type
Conference Proceeding
14th International Summer School on Crystal Growth
Publication Date
(38.914003, 121.614682)

Epitaxial thin film growth by vapor deposition or molecular beam epitaxy under ultra‐high vacuum conditions generally occurs in two stages: (i) nucleation and growth of well‐separated islands on the substrate; (ii) subsequent formation of a thicker continuous film with possible kinetic roughening. For homoepitaxial growth, two‐dimensional (2D) monolayer islands are formed during submonolayer deposition. Typically, the presence of a step‐edge barrier inhibits downward transport and leads to the formation of mounds (multilayer stacks of 2D islands) during multilayer growth. For heteroepitaxial growth, islands formed in the initial stages of deposition sometimes have a 2D monolayer structure. However, they may instead exhibit bilayer or 3D multilayer structure due to, e.g., a high film surface energy, strain, or quantum size effects. Various growth modes are possible for thicker films. Atomistic modeling provides the most detailed picture of film growth. For coherent (defect‐free) epitaxial films, lattice‐gas modeling analyzed by kinetic Monte Carlo simulation (KMC) is particularly successful in describing film growth on the appropriate time and length scales. For large islands or complex systems, another effective and instructive approach is laterally coarse‐grained stepdynamics modelingwhich tracks only the evolution of step edges in each layer. However, fully coarse‐grained 3D continuum modeling for the evolution of a film height function does not yet have predictive capability. Examples are provided for: Ag homoepitaxy on (100), (111) and (110) surfaces; Ag heteroepitaxy on lattice‐matched substrates including NiAl(110), NiAl(100), and Fe(100); and Ag heteroepitaxy on 5‐fold icosohedral Al‐Pd‐Mn and 2‐fold decagonal Al‐Cu‐Co quasicrystalline surfaces.


Copyright 2010 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in AIP Conf. Proc. 1270, pp. 26-44; doi: 10.1063/1.3476231.

Copyright Owner
American Institute of Physics
Citation Information
James W. Evans, Yong Han, Barış Ünal, Maozhi Li, et al.. "From Initial to Late Stages of Epitaxial Thin Film Growth: STM Analysis and Atomistic or CoarseGrained Modeling" Dalian, China(2010)
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