Journal article
Large Isosymmetric Reorientation of Oxygen Octahedra Rotation Axes in Epitaxially Strained Perovskites
Physical review letters, v 106(23), pp 235502-235502
10 Jun 2011
PMID: 21770519
Abstract
Using first-principles density functional theory calculations, we discover an anomalously large biaxial strain-induced octahedral rotation axis reorientation in orthorhombic perovskites with tendency towards rhombohedral symmetry. The transition between crystallographically equivalent (isosymmetric) structures with different octahedral rotation magnitudes originates from strong strain-octahedral rotation coupling available to perovskites and the energetic hierarchy among competing octahedral tilt patterns. By elucidating these criteria, we suggest many functional perovskites would exhibit the transition in thin film form, thus offering a new landscape in which to tailor highly anisotropic electronic responses.
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Details
- Title
- Large Isosymmetric Reorientation of Oxygen Octahedra Rotation Axes in Epitaxially Strained Perovskites
- Creators
- James M. Rondinelli - Drexel UniversitySinisa Coh - Rutgers, The State University of New JerseyArgonne National Lab. (ANL), Argonne, IL (United States)
- Publication Details
- Physical review letters, v 106(23), pp 235502-235502
- Publisher
- Amer Physical Soc
- Number of pages
- 4
- Grant note
- Rutgers-Lucent Fellowship DE-AC02-06CH11357 / U.S. DOE; United States Department of Energy (DOE)
- Resource Type
- Journal article
- Language
- English
- Web of Science ID
- WOS:000291465400016
- Scopus ID
- 2-s2.0-79960642985
- Other Identifier
- 991019330913704721
InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Physics, Multidisciplinary