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강상관계 물질 연구단
강상관계 물질 연구단
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Superlattice-induced ferroelectricity in charge-ordered La1/3Sr2/3FeO3

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Title
Superlattice-induced ferroelectricity in charge-ordered La1/3Sr2/3FeO3
Author(s)
Se Young Park; Rabe, Karin M.; Neaton, Jeffrey B.
Publication Date
2019-11
Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.116, no.48, pp.23972 - 23976
Publisher
NATL ACAD SCIENCES
Abstract
Charge-order-driven ferroelectrics are an emerging class of functional materials, distinct from conventional ferroelectrics, where electron-dominated switching can occur at high frequency. Despite their promise, only a few systems exhibiting this behavior have been experimentally realized thus far, motivating the need for new materials. Here, we use density-functional theory to study the effect of artificial structuring on mixed-valence solid-solution La1/3Sr2/3FeO3 (LSFO), a system well studied experimentally. Our calculations show that A-site cation (111)-layered LSFO exhibits a ferroelectric charge-ordered phase in which inversion symmetry is broken by changing the registry of the charge order with respect to the superlattice layering. The phase is energetically degenerate with a ground-state centrosymmetric phase, and the computed switching polarization is 39 mu C/cm(2), a significant value arising from electron transfer between FeO6 octahedra. Our calculations reveal that artificial structuring of LSFO and other mixed valence oxides with robust charge ordering in the solid solution phase can lead to charge-order-induced ferroelectricity. © 2019 National Academy of Sciences.
URI
https://pr.ibs.re.kr/handle/8788114/6770
ISSN
0027-8424
Appears in Collections:
Center for Correlated Electron Systems(강상관계 물질 연구단) > Journal Papers (저널논문)
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