Ferroelectricity and large piezoelectric response of AlN/ScN superlattice

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dc.contributor.author Noor-A-Alam, Mohammad
dc.contributor.author Olszewski, Oskar Zbigniew
dc.contributor.author Nolan, Michael
dc.date.accessioned 2019-12-05T16:54:22Z
dc.date.available 2019-12-05T16:54:22Z
dc.date.issued 2019-05-10
dc.identifier.citation Noor-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.8b22602 en
dc.identifier.volume 11 en
dc.identifier.issued 22 en
dc.identifier.startpage 20482 en
dc.identifier.endpage 20490 en
dc.identifier.uri http://hdl.handle.net/10468/9351
dc.identifier.doi 10.1021/acsami.8b22602 en
dc.description.abstract Based 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.sponsorship Science Foundation Ireland (grant number 17/NSFC/5279); Irish Centre for High-End Computing (ICHEC); en
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Chemical Society en
dc.relation.uri https://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.8b22602 en
dc.subject Density functional theory (DFT) en
dc.subject Ferroelectric en
dc.subject Piezoelectric en
dc.subject Short-period nitrides heterostructure en
dc.subject Wurtzite-AlN en
dc.title Ferroelectricity and large piezoelectric response of AlN/ScN superlattice en
dc.type Article (peer-reviewed) en
dc.internal.authorcontactother Md Noor A Alam, Tyndall Micronano Electronics, University College Cork, Cork, Ireland. +353-21-490-3000 Email: mda.alam@tyndall.ie en
dc.internal.availability Full text available en
dc.check.info Access to this article is restricted until 12 months after publication by request of the publisher. en
dc.check.date 2020-05-10
dc.date.updated 2019-12-04T18:09:37Z
dc.description.version Accepted Version en
dc.internal.rssid 500168351
dc.contributor.funder Science Foundation Ireland en
dc.contributor.funder European Regional Development Fund en
dc.contributor.funder Analog Devices en
dc.description.status Peer reviewed en
dc.identifier.journaltitle ACS Applied Materials & Interfaces en
dc.internal.copyrightchecked No
dc.internal.licenseacceptance Yes en
dc.internal.IRISemailaddress mda.alam@tyndall.ie en
dc.internal.IRISemailaddress michael.nolan@tyndall.ie en
dc.internal.IRISemailaddress zbigniew.olszewski@tyndall.ie en
dc.relation.project info:eu-repo/grantAgreement/SFI/SFI Research Centres/13/RC/2077/IE/CONNECT: The Centre for Future Networks & Communications/ en

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