In-diffusion of oxygen vacancies near step edges dominates the oxidation of perovskite films

Xu Wang, Yiyan Fei, Huibin Lu, Kui Juan Jin, X. D. Zhu, Zhenghao Chen, Guozhen Yang

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By a Monte Carlo simulation of the deposition process and a mean-field theory model of the surface structure, we have successfully reproduced experimental oblique-incidence optical reflectance difference signals from laser molecular beam epitaxy of Nb:SrTiO3 on a SrTiO3 substrate in ambient oxygen. We find that during deposition the concentration of oxygen vacancies close to step edges is larger than that on flat terraces and remains stable. We suggest that oxygen vacancies diffusing on the surface tend to accumulate near step edges due to their slow in-diffusion rate there, and that this in-diffusion dominates the oxidation of as-deposited film.

Original languageEnglish (US)
Article number026206
JournalJournal of Physics Condensed Matter
Issue number2
StatePublished - Jan 17 2007


ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

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