Atomic Structure of the Epitaxial BaO/Si(001) Interface

Y. Segal, J. W. Reiner, A. M. Kolpak, Z. Zhang, S. Ismail-Beigi, C. H. Ahn, and F. J. Walker
Phys. Rev. Lett. 102, 116101 – Published 17 March 2009

Abstract

We present the structure of the interface responsible for epitaxy of crystalline oxides on silicon. Using synchrotron x-ray diffraction, we observe a 2×1 unit cell reconstruction at the interface of BaO grown on Si(001) terminated with 1/2ML of Sr. Since this symmetry is not present in bulk BaO or Si, only the interface contributes to diffracted intensity. First principles calculations accurately predict the observed diffraction and identify the structure of the BaO/Si interface, including the elemental composition and a sub-Å rumpling due to epitaxial strain of the 7  adjacent BaO and Si layers.

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  • Received 6 November 2008

DOI:https://doi.org/10.1103/PhysRevLett.102.116101

©2009 American Physical Society

Authors & Affiliations

Y. Segal1, J. W. Reiner1, A. M. Kolpak1, Z. Zhang2, S. Ismail-Beigi1, C. H. Ahn1, and F. J. Walker1,*

  • 1Department of Applied Physics and Center for Research on Interface Structures and Phenomena, Yale University, New Haven, Connecticut 06520-8284, USA
  • 2Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, USA

  • *fred.walker@yale.edu

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Vol. 102, Iss. 11 — 20 March 2009

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