Efficient calculation of trion energies in monolayer transition metal dichalcogenides
arXiv:2411.09376 · doi:10.1103/PhysRevB.111.085404
Abstract
The reduced dielectric screening in atomically thin semiconductors leads to remarkably strong electron interactions. As a result, bound electron-hole pairs (excitons) and charged excitons (trions), which have binding energies in the hundreds and tens of meV, respectively, typically dominate the optical properties of these materials. However, the long-range nature of the interactions between charges represents a significant challenge to the exact calculation of binding energies of complexes larger than the exciton. Here, we demonstrate that the trion binding energy can be efficiently calculated directly from the three-body Schrödinger equation in momentum space. Key to this result is a highly accurate way of treating the pole of the electronic interactions at small momentum exchange (i.e., large separation between charges) via the Landé subtraction method. Our results are in excellent agreement with quantum Monte Carlo calculations, while yielding a substantially larger ratio of the trion to exciton binding energies than obtained in recent variational calculations. Our numerical approach may be extended to a host of different few-body problems in 2D semiconductors, and even potentially to the description of exciton polarons.
12 pages, 8 figures. Accepted version
References in corpus (21)
- Tightly bound excitons in monolayer WSe2
- Computational 2D Materials Database: Electronic Structure of Transition-Metal Dichalcogenides and Oxides
- Quasiparticle band structures and optical properties of strained monolayer MoS2 and WS2
- Exciton Binding Energy of Monolayer WS2
- Many-Body Theory of Trion Absorption Features in Two-Dimensional Semiconductors
- Testing several recent van der Waals density functionals for layered structures
- Three-particle Complexes in Two-Dimensional Semiconductors
- Highly polarized Fermi gases in two dimensions
- Electron-exciton interactions in the exciton-polaron problem
- Excitons and trions in monolayer transition metal dichalcogenides: A comparative study between the multiband model and the quadratic single-band model
- Exciton-polaron interactions in monolayer WS
- Quantum Dynamics of Attractive and Repulsive Polarons in a Doped MoSe Monolayer
- Many-body exciton and inter-valley correlations in heavily electron-doped WSe monolayers
- Three-body problem in a two-dimensional Fermi gas
- Direct Measurement of Biexcitons in Monolayer WS2
- Rydberg Exciton-Polaritons in a Magnetic Field
- Effect of fermion indistinguishability on optical absorption of doped two-dimensional semiconductors
- Trion clustering structure and binding energy in 2D semiconductor materials: Faddeev equations approach
- The 3-body Coulomb problem
- Trion resonance in polariton-electron scattering
- Rydberg excitons and polaritons in monolayer transition metal dichalcogenides in a magnetic field