Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/5938
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dc.contributor.authorYağmurcukardeş, Mehmet-
dc.contributor.authorTorun, Engin-
dc.contributor.authorSenger, Ramazan Tuğrul-
dc.contributor.authorPeeters, François M.-
dc.contributor.authorŞahin, Hasan-
dc.date.accessioned2017-07-17T08:12:22Z
dc.date.available2017-07-17T08:12:22Z
dc.date.issued2016
dc.identifier.citationYağmurcukardeş, M., Torun, E., Senger, R. T., Peeters, F. M., and Şahin, H. (2016). Mg(OH)2-WS2 van der Waals heterobilayer: Electric field tunable band-gap crossover. Physical Review B, 94(19). doi:10.1103/PhysRevB.94.195403en_US
dc.identifier.issn2469-9950
dc.identifier.issn2469-9950-
dc.identifier.issn2469-9969-
dc.identifier.urihttp://doi.org/10.1103/PhysRevB.94.195403
dc.identifier.urihttp://hdl.handle.net/11147/5938
dc.description.abstractMagnesium hydroxide [Mg(OH)2] has a layered brucitelike structure in its bulk form and was recently isolated as a new member of two-dimensional monolayer materials. We investigated the electronic and optical properties of monolayer crystals of Mg(OH)2 and WS2 and their possible heterobilayer structure by means of first-principles calculations. It was found that both monolayers of Mg(OH)2 and WS2 are direct-gap semiconductors and these two monolayers form a typical van der Waals heterostructure with a weak interlayer interaction and a type-II band alignment with a staggered gap that spatially separates electrons and holes. We also showed that an out-of-plane electric field induces a transition from a staggered to a straddling-type heterojunction. Moreover, by solving the Bethe-Salpeter equation on top of single-shot G0W0 calculations, we show that the low-energy spectrum of the heterobilayer is dominated by the intralyer excitons of the WS2 monolayer. Because of the staggered interfacial gap and the field-tunable energy-band structure, the Mg(OH)2-WS2 heterobilayer can become an important candidate for various optoelectronic device applications in nanoscale.en_US
dc.description.sponsorshipFlemish Science Foundation (FWO-Vl); Methusalem foundation of the Flemish government; FWOPegasus Long Marie Curie Fellowship; TUBITAK (114F397); Science Academy, Turkey, under BAGEP programen_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.subjectMagnesium hydroxideen_US
dc.subjectMonolayer crystalsen_US
dc.subjectBethe-Salpeter equationen_US
dc.subjectVan der Waals interactionen_US
dc.titleMg(OH)2-WS2 van der Waals heterobilayer: Electric field tunable band-gap crossoveren_US
dc.typeArticleen_US
dc.authoridTR130774en_US
dc.authoridTR2199en_US
dc.authoridTR216960en_US
dc.departmentIzmir Institute of Technology. Physicsen_US
dc.departmentIzmir Institute of Technology. Photonicsen_US
dc.identifier.volume94en_US
dc.identifier.issue19en_US
dc.identifier.wosWOS:000386769400007
dc.identifier.scopusSCOPUS:2-s2.0-84994631323
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1103/PhysRevB.94.195403-
dc.relation.doi10.1103/PhysRevB.94.195403en_US
dc.coverage.doi10.1103/PhysRevB.94.195403en_US
item.fulltextWith Fulltext-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypeArticle-
item.languageiso639-1en-
item.cerifentitytypePublications-
item.grantfulltextopen-
crisitem.author.deptDepartment of Pyhsics-
crisitem.author.deptDepartment of Photonics-
Appears in Collections:Photonics / Fotonik
Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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