Misfit dislocations at the single-crystal Fe2O3/Al2O3 interface

S. Maheswaran, S. Thevuthasan, F. Gao, V. Shutthanandan, C. M. Wang, R. J. Smith

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The buried interface of epitaxially grown α-Fe2O3(0001)/α- Al2O3(0001) has been studied using ion-scattering techniques and high-resolution transmission electron microscopy (HRTEM). The results reveal the existence of disordering at the interface attributed to misfit dislocations associated with lattice mismatch between the substrate and the film. Molecular dynamics (MD) calculations were carried out to understand the formation of misfit dislocations and the interface structural features. The calculations show that misfit dislocations form in the Al2O3 substrate and terminate at the interface, consistent with the experimental observations. Snapshots of the atomic positions generated by the MD calculations were used in Monte Carlo simulations of the ion channeling experiments. The hitting probabilities determined from these simulations are compared with the experimental surface and interface peaks obtained from the aligned Rutherford backscattering spectrometry (RBS) spectra. Combination of MD and the ion scattering simulations with RBS and HRTEM measurements show promising results in understanding the interface structures of this single crystal Fe2O3/Al2O3.

Original languageEnglish
Article number075403
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number7
Publication statusPublished - 15 Aug 2005
Externally publishedYes


ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Maheswaran, S., Thevuthasan, S., Gao, F., Shutthanandan, V., Wang, C. M., & Smith, R. J. (2005). Misfit dislocations at the single-crystal Fe2O3/Al2O3 interface. Physical Review B - Condensed Matter and Materials Physics, 72(7), [075403]. https://doi.org/10.1103/PhysRevB.72.075403