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Journal article
Quantifying octahedral rotations in strained perovskite oxide films
Physical review. B, v 82(1)
20 Jul 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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Details
- Title
- Quantifying octahedral rotations in strained perovskite oxide films
- Creators
- S. J. May - Drexel UniversityJ. -W. Kim - Argonne National LaboratoryJ. M. Rondinelli - University of California, Santa BarbaraE. Karapetrova - Argonne National LaboratoryN. A. Spaldin - University of California, Santa BarbaraA. Bhattacharya - Argonne National LaboratoryP. J. Ryan - Argonne National LaboratoryArgonne National Lab. (ANL), Argonne, IL (United States)
- Publication Details
- Physical review. B, v 82(1)
- Publisher
- Amer Physical Soc
- Number of pages
- 7
- Grant note
- NDSEG DE-AC02-06CH11357 / U.S. Department of Energy, Office of Basic Energy Sciences; United States Department of Energy (DOE) DMR 0940420 / NSF; National Science Foundation (NSF) TG-DMR-050002S / National Center for Supercomputing Applications CHE-0321368 / CNSI Computer Facilities at UC Santa Barbara under NSF
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering
- Web of Science ID
- WOS:000280123500001
- Scopus ID
- 2-s2.0-77956509068
- Other Identifier
- 991019167333504721
InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Materials Science, Multidisciplinary
- Physics, Applied
- Physics, Condensed Matter