Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/6113
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dc.contributor.authorBacaksız, Cihan-
dc.contributor.authorCahangirov, Seymur-
dc.contributor.authorRubio, Angel-
dc.contributor.authorSenger, Ramazan Tugrul-
dc.contributor.authorPeeters, François M.-
dc.contributor.authorŞahin, Hasan-
dc.date.accessioned2017-08-15T09:00:25Z
dc.date.available2017-08-15T09:00:25Z
dc.date.issued2016-03-03
dc.identifier.citationBacaksız, C., Cahangirov, S., Rubio, A., Senger, R.T., Peeters, F. M., and Şahin, H. (2016). Bilayer SnS2: Tunable stacking sequence by charging and loading pressure. Physical Review B, 93(12). doi:10.1103/PhysRevB.93.125403en_US
dc.identifier.issn2469-9950
dc.identifier.issn2469-9950-
dc.identifier.issn2469-9969-
dc.identifier.urihttp://doi.org/10.1103/PhysRevB.93.125403
dc.identifier.urihttp://hdl.handle.net/11147/6113
dc.description.abstractEmploying density functional theory-based methods, we investigate monolayer and bilayer structures of hexagonal SnS2, which is a recently synthesized monolayer metal dichalcogenide. Comparison of the 1H and 1T phases of monolayer SnS2 confirms the ground state to be the 1T phase. In its bilayer structure we examine different stacking configurations of the two layers. It is found that the interlayer coupling in bilayer SnS2 is weaker than that of typical transition-metal dichalcogenides so that alternative stacking orders have similar structural parameters and they are separated with low energy barriers. A possible signature of the stacking order in the SnS2 bilayer has been sought in the calculated absorbance and reflectivity spectra. We also study the effects of the external electric field, charging, and loading pressure on the characteristic properties of bilayer SnS2. It is found that (i) the electric field increases the coupling between the layers at its preferred stacking order, so the barrier height increases, (ii) the bang gap value can be tuned by the external E field and under sufficient E field, the bilayer SnS2 can become a semimetal, (iii) the most favorable stacking order can be switched by charging, and (iv) a loading pressure exceeding 3 GPa changes the stacking order. The E-field tunable band gap and easily tunable stacking sequence of SnS2 layers make this 2D crystal structure a good candidate for field effect transistor and nanoscale lubricant applications.en_US
dc.description.sponsorshipTUBITAK Project (114F397-- 115F388); FWO Pegasus Marie Curie Fellowship; Marie Curie grant FP7-PEOPLE-IEF Project (628876); European Research Council (ERC-2010-AdG-267374); Spanish grant Grupos Consolidados (IT578-13)en_US
dc.language.isoenen_US
dc.publisherAmerican Physical Societyen_US
dc.relationinfo:eu-repo/grantAgreement/TUBITAK/MFAG/114F397en_US
dc.relation.ispartofPhysical Review Ben_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectBilayer structuresen_US
dc.subjectStacking orderen_US
dc.titleBilayer SnS2: Tunable stacking sequence by charging and loading pressureen_US
dc.typeArticleen_US
dc.authoridTR2199en_US
dc.authoridTR216960en_US
dc.authorid0000-0003-0800-1924
dc.authorid0000-0002-6189-6707
dc.institutionauthorBacaksız, Cihan-
dc.institutionauthorSenger, Ramazan Tugrul-
dc.departmentIzmir Institute of Technology. Physicsen_US
dc.identifier.volume93en_US
dc.identifier.issue12en_US
dc.identifier.wosWOS:000371405000005en_US
dc.identifier.scopus2-s2.0-84960875199en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1103/PhysRevB.93.125403-
dc.relation.doi10.1103/PhysRevB.93.125403en_US
dc.coverage.doi10.1103/PhysRevB.93.125403en_US
dc.identifier.scopusqualityQ1-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.cerifentitytypePublications-
item.fulltextWith Fulltext-
item.grantfulltextopen-
item.openairetypeArticle-
item.languageiso639-1en-
crisitem.author.dept04.05. Department of Pyhsics-
crisitem.author.dept04.04. Department of Photonics-
Appears in Collections:Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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