Theory of neutral and charged excitons in monolayer transition metal dichalcogenides

By Timothy C. Berkelbach, M. Hybertsen, David R. Reichman. 2013

720 citations recorded by the source corpus.

We present a microscopic theory of neutral excitons and charged excitons (trions) in monolayers of transition metal dichalcogenides, including molybdenum disulfide. Our theory is based on an effective mass model of excitons and trions, parametrized by ab initio calculations and incorporating a proper treatment of screening in two dimensions. The calculated exciton binding energies are in good agreement with high-level many-body computations based on the Bethe-Salpeter equation. Furthermore, our calculations for the more complex trion species compare very favorably with recent experimental measurements, and provide atomistic insight into the microscopic features which determine the trion binding energy.

Subfields: Materials Chemistry, Renewable Energy, Sustainability and the Environment

View Paper: https://www.semanticscholar.org/paper/6512209a6bf80f8c365a2ca158407e29c53dbd46

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Citations in the corpus

Exciton physics and device application of two-dimensional transition metal dichalcogenide semiconductors (2018, background): “. Thus, excitonic features are stable at room temperature and dominate the optical response and non-equilibrium dynamics of these materials. Also higher-order excitonic quasiparticles, such as trions [11, 12, 13] and biexcitons [14, 15], have been observed in monolayer TMDs. The research field of TM”
Momentum-space indirect interlayer excitons in transition-metal dichalcogenide van der Waals heterostructures (2018, methodology): “Density functional theory calculations Density functional theory (DFT) calculations were carried out with the PBE functional [32] and the DFT-TS dispersion-interaction-correction scheme [33] using the PAW method [34] and a plane wave basis set with a cutoff energy of 259 eV, as implemented in the VA”
Valley excitons in two-dimensional semiconductors (2015, neutral): “5 nm [58].”
Excitons in van der Waals heterostructures: The important role of dielectric screening (2015, methodology): “6 Å obtained in the literature [18].”
Strain-induced direct–indirect bandgap transition and phonon modulation in monolayer WS2 (2015, background): “The decrease in the trion dissociation energy under increasing tensile strain is attributed to the changes in the effective exciton mass and polarizability caused by varying strain [55, 56].”
Polaritons in layered two-dimensional materials. (2016, background): “Unlike bulk semiconductors, excitons in 2D materials are strongly confined to a plane and experience a reduced screening from their surrounding dielectric enviroment[84], which mod-”