Vacant-Site Octahedral Tilings on SrTiO3 (001), the (13×13)R33.7° Surface, and Related Structures

D. M. Kienzle, A. E. Becerra-Toledo, and L. D. Marks
Phys. Rev. Lett. 106, 176102 – Published 29 April 2011
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Abstract

The structure of the SrTiO3 (001) (13×13)R33.7° surface reconstruction has been determined using transmission electron diffraction combined with direct methods and density functional theory. It has a TiO2-rich surface with a 2D tiling of edge or corner-sharing TiO5 octahedra. Additionally, different arrangements of these octahedral units at the surface, dictated by local bond-valence sums, form 2D networks that can account for many ordered surface reconstructions as well as disordered glasslike structures consistent with the multitude of structures observed experimentally, and potentially other materials and interfaces.

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  • Received 4 January 2011

DOI:https://doi.org/10.1103/PhysRevLett.106.176102

© 2011 American Physical Society

Authors & Affiliations

D. M. Kienzle, A. E. Becerra-Toledo, and L. D. Marks

  • Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208, USA

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Vol. 106, Iss. 17 — 29 April 2011

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