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dc.contributor.authorSevik, Cem
dc.contributor.authorWallbank, John R.
dc.contributor.authorGülseren, Oğuz
dc.contributor.authorPeeters, Francois M.
dc.contributor.authorÇakır, Deniz
dc.date.accessioned2019-10-21T21:12:31Z
dc.date.available2019-10-21T21:12:31Z
dc.date.issued2017
dc.identifier.issn2053-1583
dc.identifier.urihttps://dx.doi.org/10.1088/2053-1583/aa80c4
dc.identifier.urihttps://hdl.handle.net/11421/21393
dc.descriptionWOS: 000406926600001en_US
dc.description.abstractOptical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic properties of bilayer black phosphorus with an interlayer twist angle of 90 degrees. These calculations are complemented with a simple (k) over right arrow . (p) over right arrow model which is able to capture most of the low energy features and is valid for arbitrary twist angles. The electronic spectrum of 90 degrees twisted bilayer black phosphorus is found to be x-y isotropic in contrast to the monolayer. However x-y anisotropy, and a partial return to monolayer-like behavior, particularly in the valence band, can be induced by an external out-of-plane electric field. Moreover, the preferred hole effective mass can be rotated by 90 degrees simply by changing the direction of the applied electric field. In particular, a +0.4 (-0.4) V angstrom(1) out-of-plane electric field results in a similar to 60% increase in the hole effective mass along the y (x) axis and enhances the m(y)*/m(x)* (m(x)*/m(y)*) ratio as much as by a factor of 40. Our DFT and (k) over right arrow . (p) over right arrow simulations clearly indicate that the twist angle in combination with an appropriate gate voltage is a novel way to tune the electronic and optical properties of bilayer phosphorus and it gives us a new degree of freedom to engineer the properties of black phosphorus based devices.en_US
dc.description.sponsorshipScientific and Technological Research Council of Turkey (TUBITAK); FWO-Flanders; Flemish Science Foundation (FWO-Vl); Methusalem foundation of the Flemish government; Hercules foundation; TUBITAK [115F024]; ERC Synergy grant Hetero2D; EU Graphene Flagship Projecten_US
dc.description.sponsorshipThis work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024), ERC Synergy grant Hetero2D and the EU Graphene Flagship Project. We also thank Vladimir Fal'ko for helpful discussions.en_US
dc.language.isoengen_US
dc.publisherIOP Publishing LTDen_US
dc.relation.isversionof10.1088/2053-1583/aa80c4en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectBlack Phosphorusen_US
dc.subjectEffective Massen_US
dc.subjectElectric Fielden_US
dc.subject(K)Over-Right-Arrow . (P)Over-Right-Arrowen_US
dc.subjectFirst Principles Calculationsen_US
dc.titleGate induced monolayer behavior in twisted bilayer black phosphorusen_US
dc.typearticleen_US
dc.relation.journal2D Materialsen_US
dc.contributor.departmentAnadolu Üniversitesi, Mühendislik Fakültesi, Makine Mühendisliği Bölümüen_US
dc.identifier.volume4en_US
dc.identifier.issue3en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.contributor.institutionauthorSevik, Cem


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