Two-dimensional heterostructures formed by graphenelike ZnO and MgO monolayers for optoelectronic applications

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buir.contributor.authorSeyedmohammadzadeh, Mahsa
buir.contributor.authorGülseren, Oğuz
buir.contributor.orcidSeyedmohammadzadeh, Mahsa|0000-0003-2960-1136
buir.contributor.orcidGülseren, Oğuz|0000-0002-7632-0954
dc.citation.epage104004-13en_US
dc.citation.issueNumber10en_US
dc.citation.spage104004-1en_US
dc.citation.volumeNumber6en_US
dc.contributor.authorSeyedmohammadzadeh, Mahsa
dc.contributor.authorSevik, C.
dc.contributor.authorGülseren, Oğuz
dc.date.accessioned2023-02-16T11:15:15Z
dc.date.available2023-02-16T11:15:15Z
dc.date.issued2022-10-24
dc.departmentDepartment of Physicsen_US
dc.description.abstractTwo-dimensional heterostructures are an emerging class of materials for novel applications because of extensive engineering potential by tailoring intriguing properties of different layers as well as the ones arising from their interface. A systematic investigation of mechanical, electronic, and optical properties of possible heterostructures formed by bilayer structures graphenelike ZnO and MgO monolayers is presented. Different functionality of each layer makes these heterostructures very appealing for device applications. ZnO layer is convenient for electron transport in these structures, while MgO layer improves electron collection. At the outset, all of the four possible stacking configurations across the heterostructure are mechanically stable. In addition, stability analysis using phonon dispersion reveals that the AB stacking formed by placing the Mg atom on top of the O atom of the ZnO layer is also dynamically stable at zero temperature. Henceforth, we have investigated the optical properties of these stable heterostructures by applying many-body perturbation theory within the framework of GW approximation and solving the Bethe-Salpeter equation. It is demonstrated that strong excitonic effects reduce the optical band gap to the visible light spectrum range. These results show that this new two-dimensional form of ZnO/MgO heterostructures open an avenue for novel optoelectronic device applications.en_US
dc.identifier.doi10.1103/PhysRevMaterials.6.104004en_US
dc.identifier.eissn2475-9953
dc.identifier.urihttp://hdl.handle.net/11693/111443
dc.language.isoEnglishen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.isversionofhttps://www.doi.org/10.1103/PhysRevMaterials.6.104004en_US
dc.source.titlePhysical Review Materialsen_US
dc.titleTwo-dimensional heterostructures formed by graphenelike ZnO and MgO monolayers for optoelectronic applicationsen_US
dc.typeArticleen_US

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