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dc.contributor.authorSanvito, Stefano
dc.contributor.authorZhang, Chunmei
dc.contributor.authorNie, Yihan
dc.contributor.authorDu, Aijun
dc.date.accessioned2020-02-17T16:36:15Z
dc.date.available2020-02-17T16:36:15Z
dc.date.issued2019
dc.date.submitted2019en
dc.identifier.citationZhang, C., Nie, Y., Sanvito, S. & Du, A., First-Principles Prediction of a Room-Temperature Ferromagnetic Janus VSSe Monolayer with Piezoelectricity, Ferroelasticity, and Large Valley Polarization, Nano Letters, 19, 2, 2019, 1366-1370en
dc.identifier.otherY
dc.identifier.urihttps://pubs.acs.org/doi/10.1021/acs.nanolett.8b05050
dc.identifier.urihttp://hdl.handle.net/2262/91553
dc.descriptionPUBLISHEDen
dc.description.abstractInspired by recent experiments on the successful fabrication of monolayer Janus transition-metal dichalcogenides [Lu, A.-Y.; Nat. Nanotechnol. 2017, 12, (8), 744 and ferromagnetic VSe2 [Bonilla, M.; Nat. Nanotechnol. 2018, 13, (4), 289], we predict a highly stable room-temperature ferromagnetic Janus monolayer (VSSe) by density functional theory methods and further confirmed the stability by a global minimum search with the particle-swarm optimization method. The VSSe monolayer exhibits a large valley polarization due to the broken space- and time-reversal symmetry. Moreover, its low symmetry C3v point group results in giant in-plane piezoelectric polarization. Most interestingly, a strain-driven 90° lattice rotation is found in the magnetic VSSe monolayer with an extremely high reversal strain (73%), indicating an intrinsic ferroelasticity. The combination of piezoelectricity and valley polarization make magnetic 2D Janus VSSe a tantalizing material for potential applications in nanoelectronics, optoelectronics, and valleytronics.en
dc.format.extent1366?1370en
dc.language.isoenen
dc.relation.ispartofseriesNano Letters;
dc.relation.ispartofseries19;
dc.relation.ispartofseries2;
dc.rightsYen
dc.subjectMonolayersen
dc.subjectMagnetics propertiesen
dc.subjectEnergyen
dc.subjectPiezoelectrics polarizationen
dc.titleFirst-Principles Prediction of a Room-Temperature Ferromagnetic Janus VSSe Monolayer with Piezoelectricity, Ferroelasticity, and Large Valley Polarizationen
dc.typeJournal Articleen
dc.contributor.sponsorScience Foundation Ireland (SFI)en
dc.type.supercollectionscholarly_publicationsen
dc.type.supercollectionrefereed_publicationsen
dc.identifier.peoplefinderurlhttp://people.tcd.ie/sanvitos
dc.identifier.rssinternalid204038
dc.identifier.doihttp://dx.doi.org/10.1021/acs.nanolett.8b05050
dc.rights.ecaccessrightsopenAccess
dc.contributor.sponsorGrantNumber14/IA/2624en
dc.identifier.orcid_id0000-0002-0291-715X


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