Abstract
We have measured the oxygen positions in 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.
- Received 25 June 2010
DOI:https://doi.org/10.1103/PhysRevB.82.014110
©2010 American Physical Society