Epitaxial growth of thin films studies by molecular dynamics simulation

The epitaxial growth of atomic systems, interacting via the spherically symmetric Lennard-Jones potential is studied as a function of substrate temperature Ts and deposition rate. The calculations reveal the microscopic structure of thin films, and give insight into the dynamics of the adsorption process. For all substrate temperatures the growth is into well ordered layers which become fully completed at intermediate Ts. At very low Ts the layers contain defects and voids; however, the atoms are still arranged in close-packed islands within the layers. It is shown that the films exhibit a pronounced columnar structure if deposited at low Ts