Classical molecular dynamics simulations are used to examine the growth of SrO and TiO2 thin films on SrTiO3 (STO). In particular, the simulations consider the deposition of SrO and TiO2 molecules at incident energies of 0.1, 0.5, and 1.0 eV/atom onto the (0 0 1) surface of STO. The role of surface termination layer (SrO vs. TiO2) is analyzed. In the case of SrO deposition, smooth, ordered films are produced for all incident energies considered and for both surface terminations. By contrast, in the case of TiO2 deposition, three-dimensional islands are formed under all conditions. These predictions are in good agreement with experimental data. Importantly, the simulations explain why these differing morphologies are produced for SrO and TiO2 deposition.
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Surfaces and Interfaces
- Surfaces, Coatings and Films
- Materials Chemistry