Quantifying octahedral rotations in strained perovskite oxide films.
We have measured the oxygen positions in LaNiO{sub 3} 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.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC); National Science Foundation (NSF)
- DOE Contract Number:
- DE-AC02-06CH11357
- OSTI ID:
- 985150
- Report Number(s):
- ANL/MSD/JA-67388; TRN: US201016%%1824
- Journal Information:
- Phys. Rev. B, Vol. 82, Issue Jul. 20, 2010
- Country of Publication:
- United States
- Language:
- ENGLISH
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