| Revisiting Properties of Ferroelectric and Multiferroic Thin Films under Tensile Strain from First Principles. | |
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MedLine Citation:
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PMID: 23006208 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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First-principles calculations are performed to revisit properties of (001) epitaxial BiFeO_{3} (BFO) and PbTiO_{3} thin films under tensile strain. While these two films possess different ground states when experiencing no misfit strain, they both exhibit the same, previously unknown phase for tensile strains above ≃5% at T=0 K. This novel state is of orthorhombic Pmc2_{1} symmetry and is macroscopically characterized by a large in-plane polarization coexisting with oxygen octahedra tilting in-phase about the out-of-plane direction. On a microscopic point of view, this Pmc2_{1} state exhibits short atomic bonds and zigzag cation displacement patterns, unlike conventional ferroelectric phases and typical domains. Such unusual inhomogeneous patterns originate from the coexistence of polar and antiferroelectric distortions having the same magnitude and lead BFO films to be the first known material for which orbital ordering coexists with a large polarization. Furthermore, this Pmc2_{1} state is also found in other perovskite films under tensile strain, which emphasizes its generality. |
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Authors:
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Yurong Yang; Wei Ren; Massimiliano Stengel; X H Yan; L Bellaiche |
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Publication Detail:
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Type: Journal Article Date: 2012-08-02 |
Journal Detail:
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Title: Physical review letters Volume: 109 ISSN: 1079-7114 ISO Abbreviation: Phys. Rev. Lett. Publication Date: 2012 Aug |
Date Detail:
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Created Date: 2012-09-25 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0401141 Medline TA: Phys Rev Lett Country: United States |
Other Details:
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Languages: eng Pagination: 057602 Citation Subset: IM |
Affiliation:
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Physics Department and Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas 72701, USA and Physics Department, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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