Ferroelectricity and large piezoelectric response of AlN/ScN superlattice

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dc.check.date2020-05-10
dc.check.infoAccess to this article is restricted until 12 months after publication by request of the publisher.en
dc.contributor.authorNoor-A-Alam, Mohammad
dc.contributor.authorOlszewski, Oskar Zbigniew
dc.contributor.authorNolan, Michael
dc.contributor.funderScience Foundation Irelanden
dc.contributor.funderEuropean Regional Development Funden
dc.contributor.funderAnalog Devicesen
dc.date.accessioned2019-12-05T16:54:22Z
dc.date.available2019-12-05T16:54:22Z
dc.date.issued2019-05-10
dc.date.updated2019-12-04T18:09:37Z
dc.description.abstractBased on density functional theory, we investigate the ferroelectric and piezoelectric properties of the AlN/ScN superlattice, consisting of ScN and AlN buckled monolayers alternating along the crystallographic c-direction. We find that the polar wurtzite (w-ScAlN) structure is mechanically and dynamically stable and is more stable than the nonpolar hexagonal flat configuration. We show that ferroelectric polarization switching can be possible for an epitaxially tensile-strained superlattice. Because of the elastic constant C33 softening, together with an increase in e33, the piezoelectric coefficient d33 of the superlattice is doubled compared to that of pure w-AlN. The combined enhancement of Born effective charges (Z33) and sensitivity of the atomic coordinates to the external strain is the origin of the large piezoelectric constant e33. Moreover, we show that the epitaxial biaxial tensile strain significantly enhances the piezo-response, so that d33 becomes 7 times larger than that of w-AlN at 4% strain. The tensile strain results in a huge enhancement in e33 by increasing Z33 and , which boost the piezoelectric.en
dc.description.sponsorshipScience Foundation Ireland (grant number 17/NSFC/5279); Irish Centre for High-End Computing (ICHEC);en
dc.description.statusPeer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationNoor-A-Alam, M., Olszewski, O. Z. and Nolan, M. (2019) 'Ferroelectricity and Large Piezoelectric Response of AlN/ScN Superlattice', ACS Applied Materials & Interfaces, 11(22), pp. 20482-20490. doi: 10.1021/acsami.8b22602en
dc.identifier.doi10.1021/acsami.8b22602en
dc.identifier.endpage20490en
dc.identifier.issued22en
dc.identifier.journaltitleACS Applied Materials & Interfacesen
dc.identifier.startpage20482en
dc.identifier.urihttps://hdl.handle.net/10468/9351
dc.identifier.volume11en
dc.language.isoenen
dc.publisherAmerican Chemical Societyen
dc.relation.projectinfo:eu-repo/grantAgreement/SFI/SFI Research Centres/13/RC/2077/IE/CONNECT: The Centre for Future Networks & Communications/en
dc.relation.urihttps://pubs.acs.org/doi/10.1021/acsami.8b22602
dc.rights© 2019 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Applied Materials & Interfaces, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acsami.8b22602en
dc.subjectDensity functional theory (DFT)en
dc.subjectFerroelectricen
dc.subjectPiezoelectricen
dc.subjectShort-period nitrides heterostructureen
dc.subjectWurtzite-AlNen
dc.titleFerroelectricity and large piezoelectric response of AlN/ScN superlatticeen
dc.typeArticle (peer-reviewed)en
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