Quantifying octahedral rotations in strained perovskite oxide films

S. J. May, J. W. Kim, J. M. Rondinelli, E. Karapetrova, N. A. Spaldin, A. Bhattacharya, P. J. Ryan

Research output: Contribution to journalArticlepeer-review

239 Scopus citations

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.

Original languageEnglish (US)
Article number014110
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume82
Issue number1
DOIs
StatePublished - Jul 20 2010

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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