Molecular dynamics simulations of SrTiO3 thin-film growth from cluster deposition

Jennifer L. Wohlwend, Simon R. Phillpot, Susan B. Sinnott

Research output: Contribution to journalArticle

5 Scopus citations

Abstract

We use classical molecular dynamics simulations to examine the deposition of SrTiO3 stoichiometric clusters on (001) SrTiO3. The simulations consider the deposition of clusters that consist of one, two, three or four stoichiometric units that have incident energies of 1.0 eV/atom. Two types of beam compositions are considered: those that are comprised of mono-sized clusters and those that are comprised of mixed-sized clusters along with individual SrO and TiO2 particles. The results are analyzed to determine the effect of surface termination layer (SrO versus TiO2), cluster size and beam composition on the resulting thin-film structure. The simulations indicate that termination layer and beam composition have an impact on the resulting film structure with mixed-beam composition and TiO2 termination yielding films with a structure similar to that of bulk STO.

Original languageEnglish (US)
Article number045001
JournalJournal of Physics Condensed Matter
Volume22
Issue number4
DOIs
StatePublished - Jan 1 2010

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics

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