Onset of vertical bonds in new GaN multilayers: beyond van der Waals solids

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buir.contributor.authorÇıracı, Salim
buir.contributor.authorDurgun, Engin
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage21850en_US
dc.citation.issueNumber46en_US
dc.citation.spage21842en_US
dc.citation.volumeNumber10en_US
dc.contributor.authorOnen, A.en_US
dc.contributor.authorKecik, D.en_US
dc.contributor.authorDurgun, Enginen_US
dc.contributor.authorÇıracı, Salimen_US
dc.date.accessioned2019-02-21T16:02:51Z
dc.date.available2019-02-21T16:02:51Z
dc.date.issued2018en_US
dc.departmentNanotechnology Research Center (NANOTAM)en_US
dc.departmentInstitute of Materials Science and Nanotechnology (UNAM)en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractA suspended single layer of GaN in a honeycomb structure is stable in a planar geometry. By stacking these GaN layers one can construct bilayers or multilayers, even new three-dimensional (3D) periodic structures. In this study, we clarified how the planar layers are buckled with the onset of vertical Ga-N bonds. Among the four stable phases of bilayer GaN, only one of them maintains the planar geometry, which is bound by weak van der Waals interactions. For the remaining three phases, the layers are buckled with the onset of weak vertical bonds, and attain total energies slightly lower than that of the planar geometry. Structural phase changes, as well as direct-indirect band transitions take place under strain and electrostatic charging. The vertical bonds become shorter in multilayers, and eventually attain the bulk value. Among the stable phases of 3D periodic GaN, only one with a graphite-like structure behaves as a layered, van der Waals solid; whereby others are 3D uniform crystals beyond the van der Waals solid.
dc.description.provenanceMade available in DSpace on 2019-02-21T16:02:51Z (GMT). No. of bitstreams: 1 Bilkent-research-paper.pdf: 222869 bytes, checksum: 842af2b9bd649e7f548593affdbafbb3 (MD5) Previous issue date: 2018en
dc.description.sponsorshipThe calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure) and the National Center for High Performance Computing of Turkey (UHeM) under grant no. 5003622015. This work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 117F241. E. D. acknowledges support from the Turkish Academy of Sciences - Outstanding Young Scientists Award Program (TUBA-GEBIP). S. C. acknowledges financial support from the Academy of Sciences of Turkey (TUBA).
dc.identifier.doi10.1039/c8nr05626a
dc.identifier.issn2040-3364
dc.identifier.urihttp://hdl.handle.net/11693/50049
dc.language.isoEnglish
dc.publisherRoyal Society of Chemistry
dc.relation.isversionofhttps://doi.org/10.1039/c8nr05626a
dc.relation.project5003622015 - 117F241 - Türkiye Bilimsel ve Teknolojik Araştirma Kurumu, TÜBITAK
dc.source.titleNanoscaleen_US
dc.titleOnset of vertical bonds in new GaN multilayers: beyond van der Waals solidsen_US
dc.typeArticleen_US

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