Reference : Ab initio and semiempirical modeling of excitons and trions in monolayer TiS3
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
Physics and Materials Science
http://hdl.handle.net/10993/38248
Ab initio and semiempirical modeling of excitons and trions in monolayer TiS3
English
Torun, Engin mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit > ; University of Antwerp, Belgium > Department of Physics]
Sahin, H. [Izmir Institute of Technology, 35430 Izmir, Turkey > Department of Photonics]
Chavez, A. [Universidade Federal do Ceará, Campus do Pici, CP 6030, CEP 60455-900, Fortaleza, Ceará, Brazil > Departamento de Física > > ; Columbia University, USA > Department of Chemistry]
Wirtz, Ludger mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
Peeters, François [University of Antwerp, Belgium > Department of Physics]
Aug-2018
Physical Review. B, Condensed Matter
American Physical Society
98
075419
Yes
International
0163-1829
1095-3795
New York
MD
[en] excitons ; trions ; ab-initio many body perturbation theory
[en] We 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 prop- erties 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.
Fonds National de la Recherche - FnR
Researchers ; Professionals ; Students
http://hdl.handle.net/10993/38248
10.1103/PhysRevB.98.075419
FnR ; FNR7490149 > Ludger Wirtz > NANOTMD > 20 Electric transport and superconductivity in TransitionMetal Dichalcogenides nanolayers > 01/02/2014 > 31/01/2019 > 2013

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