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j.jmat.2023.02.012.pdf1.38 MBAdobe PDF見る/開く
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dc.contributor.authorXu, Taoen
dc.contributor.authorZhang, Jingtongen
dc.contributor.authorWang, Chunyuen
dc.contributor.authorWang, Xiaoyuanen
dc.contributor.authorShimada, Takahiroen
dc.contributor.authorWang, Jieen
dc.contributor.authorYang, Hongxinen
dc.contributor.alternative徐, 涛ja
dc.contributor.alternative嶋田, 隆広ja
dc.date.accessioned2023-12-04T07:20:04Z-
dc.date.available2023-12-04T07:20:04Z-
dc.date.issued2023-09-
dc.identifier.urihttp://hdl.handle.net/2433/286276-
dc.description.abstractLow-dimensional multiferroic metals characterized by the simultaneous coexistence of ferroelectricity, conductivity, and magnetism hold tremendous potential for scientific and technological endeavors. However, the mutually exclusive mechanisms among these properties impede the discovery of multifunctional conducting multiferroics, especially at the atomic-scale. Here, based on first-principles calculations, we design and demonstrate intrinsic one-dimensional (1D) ferroelectrics and carrier doping-induced metallic multiferroics in an atomic WOF₄ wire. The WOF₄ atomic wire that can be derived from a 1D van der Waals crystal exhibits pronounced ferroelectricity manifested in the form of large cooperative atomic displacements. By performing Monte Carlo simulations with an effective Hamiltonian method, we obtain the nanowire that can sustain a high Curie temperature, indicating its potential for room-temperature applications. Moreover, doping with electrons is found to induce magnetism and metallic conductivity that coexists with the ferroelectric distortion in the nanowire. These appealing properties in conjunction with the experimental feasibility enable the doped WOF4 nanowire to act as a promising atomic-scale multifunctional material.en
dc.language.isoeng-
dc.publisherElsevier BVen
dc.publisherThe Chinese Ceramic Societyen
dc.rights© 2023 The Authors. Published by Elsevier B.V. on behalf of The Chinese Ceramic Society.en
dc.rightsThis is an open access article under the CC BY-NC-ND license.en
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/-
dc.subject1D materialsen
dc.subjectFerroelectricsen
dc.subjectMetallic multiferroicsen
dc.subjectFirst-principles calculationsen
dc.subjectElectron dopingen
dc.titleIntrinsic ferroelectrics and carrier doping-induced metallic multiferroics in an atomic wireen
dc.typejournal article-
dc.type.niitypeJournal Article-
dc.identifier.jtitleJournal of Materiomicsen
dc.identifier.volume9-
dc.identifier.issue5-
dc.identifier.spage892-
dc.identifier.epage898-
dc.relation.doi10.1016/j.jmat.2023.02.012-
dc.textversionpublisher-
dcterms.accessRightsopen access-
dc.identifier.pissn2352-8478-
dc.identifier.eissn2352-8486-
出現コレクション:学術雑誌掲載論文等

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