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dc.contributor.authorTorun, Engin
dc.contributor.authorŞahin, Hasan
dc.contributor.authorChaves, A.
dc.contributor.authorWirtz, Ludger
dc.contributor.authorPeeters, François M.
dc.date.accessioned2020-01-23T13:04:22Z
dc.date.available2020-01-23T13:04:22Z
dc.date.issued2018-08en_US
dc.identifier.citationTorun, E., Şahin, H., Chaves, A., Wirtz, L., and Peeters, F. M. (2018). Ab initio and semiempirical modeling of excitons and trions in monolayer TiS3. Physical Review B, 98(7). doi:10.1103/PhysRevB.98.075419en_US
dc.identifier.issn2469-9950
dc.identifier.urihttps://doi.org/10.1103/PhysRevB.98.075419
dc.identifier.urihttps://hdl.handle.net/11147/7623
dc.description.abstractWe explore the electronic and the optical properties of monolayer TiS3, which shows in-plane anisotropy and is composed of a chain-like structure along one of the lattice directions. Together with its robust direct band gap, which changes very slightly with stacking order and with the thickness of the sample, the anisotropic physical properties of TiS3 make the material very attractive for various device applications. In this study, we present a detailed investigation on the effect of the crystal anisotropy on the excitons and the trions of the TiS3 monolayer. We use many-body perturbation theory to calculate the absorption spectrum of anisotropic TiS3 monolayer by solving the Bethe-Salpeter equation. In parallel, we implement and use a Wannier-Mott model for the excitons that takes into account the anisotropic effective masses and Coulomb screening, which are obtained from ab initio calculations. This model is then extended for the investigation of trion states of monolayer TiS3. Our calculations indicate that the absorption spectrum of monolayer TiS3 drastically depends on the polarization of the incoming light, which excites different excitons with distinct binding energies. In addition, the binding energies of positively and the negatively charged trions are observed to be distinct and they exhibit an anisotropic probability density distribution.en_US
dc.description.sponsorshipFWO; FLAG-ERA project TRANS-2D-TMD; TUBITAK (117F095); Brazilian Research Council (CNPq) through the PRONEX/FUNCAP; Lemann Foundation; Luxembourg National Research Fund (IN-TER/ANR/13/20/NANOTMD)en_US
dc.language.isoengen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.isversionof10.1103/PhysRevB.98.075419en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectMonolayersen_US
dc.subjectTitanium trisulfideen_US
dc.subjectAb initioen_US
dc.subjectExcitonsen_US
dc.subjectTrionsen_US
dc.titleAb initio and semiempirical modeling of excitons and trions in monolayer TiS3en_US
dc.typearticleen_US
dc.contributor.authorID0000-0002-6189-6707en_US
dc.contributor.iztechauthorŞahin, Hasan
dc.relation.journalPhysical Review Ben_US
dc.contributor.departmentIzmir Institute of Technology. Photonicsen_US
dc.identifier.volume98en_US
dc.identifier.issue7en_US
dc.identifier.wosWOS:000442342100002
dc.identifier.scopusSCOPUS:2-s2.0-85052804196
dc.relation.tubitakinfo:eu-repo/grantAgreement/TUBITAK/MFAG/117F095
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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