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Origin of versatile polarization state in CuInP2 S6
Zhang, Xuanlin1,2; Xiao, Chengcheng3; Zhang, Zeying4; Dong, Luqi2; Pan, Hui5; Cao, Chao2; Yang, Shengyuan A.5; Wei, Su Huai6; Lu, Yunhao1,2
2023-10-16
Source PublicationPhysical Review B
ISSN2469-9950
Volume108Issue:16Pages:L161406
Abstract

Exotic electric polarization-related phenomena have recently been reported in layered van der Waals material such as CuInP2S6 and its derivatives, but the physical origin for such behaviors, especially the formation of quadrupole-well ferroelectric states and the anomalous polarization switching between these states, has not been clearly understood. Here, we provide a simple theoretical explanation using group theory analysis, highlighting the role of local symmetry-determined orbital interactions between copper ions and surrounding ligands. Based on this theory, we predict a surprising effect: carrier doping, which is commonly believed to suppress electric polarization, can lead to enhanced polarization in CuInP2S6. Our first-principles simulations confirm this unusual effect and further show that an elevated hole doping level can cause electric polarization to give way to emerging ferromagnetism. Our results not only pave a way to realize ferroelectric metals, but also broaden the scope of magnetoelectric coupling mechanisms and may help enrich the potential applications of layered ferroelectric materials in the future.

DOI10.1103/PhysRevB.108.L161406
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaMaterials Science ; Physics
WOS SubjectMaterials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS IDWOS:001183506600005
PublisherAMER PHYSICAL SOCONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844
Scopus ID2-s2.0-85177617125
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Citation statistics
Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding AuthorLu, Yunhao
Affiliation1.State Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou, 310027, China
2.School of Physics, Zhejiang University, Hangzhou, 310027, China
3.Departments of Materials and Physics, The Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London, SW7 2AZ, United Kingdom
4.College of Mathematics and Physics, Beijing University of Chemical Technology, Beijing, 100029, China
5.Institute of Applied Physics and Materials Engineering, University of Macau, Macao
6.Beijing Computational Science Research Center, Beijing, 100193, China
Recommended Citation
GB/T 7714
Zhang, Xuanlin,Xiao, Chengcheng,Zhang, Zeying,et al. Origin of versatile polarization state in CuInP2 S6[J]. Physical Review B, 2023, 108(16), L161406.
APA Zhang, Xuanlin., Xiao, Chengcheng., Zhang, Zeying., Dong, Luqi., Pan, Hui., Cao, Chao., Yang, Shengyuan A.., Wei, Su Huai., & Lu, Yunhao (2023). Origin of versatile polarization state in CuInP2 S6. Physical Review B, 108(16), L161406.
MLA Zhang, Xuanlin,et al."Origin of versatile polarization state in CuInP2 S6".Physical Review B 108.16(2023):L161406.
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