Quantifying octahedral rotations in strained perovskite oxide films

S. J. May, J.-W. Kim, J. M. Rondinelli, E. Karapetrova, N. A. Spaldin, A. Bhattacharya, and P. J. Ryan
Phys. Rev. B 82, 014110 – Published 20 July 2010

Abstract

We have measured the oxygen positions in LaNiO3 films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

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  • Received 25 June 2010

DOI:https://doi.org/10.1103/PhysRevB.82.014110

©2010 American Physical Society

Authors & Affiliations

S. J. May1,2,*, J.-W. Kim3, J. M. Rondinelli4, E. Karapetrova3, N. A. Spaldin4, A. Bhattacharya1,5, and P. J. Ryan3

  • 1Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA
  • 2Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19104, USA
  • 3Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, USA
  • 4Materials Department, University of California, Santa Barbara, California 93106, USA
  • 5Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439, USA

  • *smay@drexel.edu

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Vol. 82, Iss. 1 — 1 July 2010

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