Journal
PHYSICAL REVIEW B
Volume 82, Issue 1, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.82.014110
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Funding
- U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357]
- NDSEG
- NSF [DMR 0940420]
- National Center for Supercomputing Applications [TG-DMR-050002S]
- CNSI Computer Facilities at UC Santa Barbara under NSF [CHE-0321368]
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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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