气候变化领域集成服务门户(CCPortal): Superlattice-induced ferroelectricity in charge-ordered La1 / 3Sr2 / 3FeO3

CCPortal

DOI	10.1073/pnas.1906513116
	Superlattice-induced ferroelectricity in charge-ordered La1 / 3Sr2 / 3FeO3
	Park S.Y.; Rabe K.M.; Neaton J.B.
发表日期	2019
ISSN	0027-8424
起始页码	23972
结束页码	23976
卷号	116 期号:48
英文摘要	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 µC/cm2, 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. All rights reserved.
英文关键词	Charge ordering; Density-functional theory; Ferroelectricity; Perovskite-oxide; Superlattices
语种	英语
scopus关键词	cation; ferromagnetic material; iron oxide; perovskite; Article; atomic particle; density functional theory; electricity; electromagnetism; electron transport; energy transfer; ferroelectricity; fluctuating asymmetry; high temperature; polarization; priority journal
来源期刊	Proceedings of the National Academy of Sciences of the United States of America
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/160332
作者单位	Park, S.Y., Center for Correlated Electron Systems, Institute for Basic Science, Seoul, 08826, South Korea, Department of Physics and Astronomy, Seoul National University, Seoul, 08826, South Korea, Department of Physics, University of California, Berkeley, CA 94720, United States; Rabe, K.M., Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854, United States; Neaton, J.B., Department of Physics, University of California, Berkeley, CA 94720, United States, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, United States, Kavli Energy NanoScience Institute, University of California, Berkeley, CA 94720, United States
推荐引用方式 GB/T 7714	Park S.Y.,Rabe K.M.,Neaton J.B.. Superlattice-induced ferroelectricity in charge-ordered La1 / 3Sr2 / 3FeO3[J],2019,116(48).
APA	Park S.Y.,Rabe K.M.,&Neaton J.B..(2019).Superlattice-induced ferroelectricity in charge-ordered La1 / 3Sr2 / 3FeO3.Proceedings of the National Academy of Sciences of the United States of America,116(48).
MLA	Park S.Y.,et al."Superlattice-induced ferroelectricity in charge-ordered La1 / 3Sr2 / 3FeO3".Proceedings of the National Academy of Sciences of the United States of America 116.48(2019).