Diffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides

  title={Diffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides},
  author={Elaheh Mostaani and Marcin Szyniszewski and Cameron Alexander Hurd Price and Ryo Maezono and Mark Danovich and Ryan James Hunt and Neil D Drummond and Vladimir I. Fal’ko},
  journal={Physical Review B},
Excitonic effects play a particularly important role in the optoelectronic behavior of two dimensional semiconductors. To facilitate the interpretation of experimental photoabsorption and photoluminescence spectra we provide (i) statistically exact diffusion quantum Monte Carlo bindingenergy data for a Mott-Wannier model of (donor/acceptor-bound) excitons, trions, and biexcitons in two-dimensional semiconductors in which charges interact via the Keldysh potential, (ii) contact pair-distribution… 

Charge-tuneable biexciton complexes in monolayer WSe2

Experimental evidence of four- and five-particle biexciton complexes in monolayer WSe2 and their electrical control are reported and offer direct routes towards deterministic control in many-body quantum phenomena.

Dynamical screening in monolayer transition-metal dichalcogenides and its manifestations in the exciton spectrum

A systematic description of the dynamical screening and its various approximations allow one to revisit other phenomena, such as nonequilibrium transport or superconducting pairing, where the use of the Bethe-Salpeter equation or the emergence of shortwave plasmons can play an important role.

Dynamical Screening of Excitons in Monolayer Transition-Metal Dichalcogenides

We review the manifestations of many-body interactions in monolayer transition-metal dichalcogenides (ML-TMDs) through changes in the optical spectra of excitons when the charge density is varied

Coulomb-bound four- and five-particle intervalley states in an atomically-thin semiconductor

Experimental evidence is presented for four-particle biexcitons and five- particle exciton-trions in high-quality monolayer tungsten diselenide that are bound with respect to the bright exciton and the trion and intervalley complexes involving dark excitons.

A first-principles Quantum Monte Carlo study of two-dimensional (2D) GaSe.

It is confirmed that monolayer GaSe is an indirect gap semiconductor with a quasiparticle electronic gap in close agreement with experiment and low exciton binding energy and the optimal lattice parameter, cohesive energy, and ground state charge density with DMC and various DFT methods.

Localization-induced optical properties of monolayer transition-metal dichalcogenides

Impurities play an important role during recombination processes in semiconductors. Their important role is sharpened in atomically-thin transition-metal dichalcogenides whose two-dimensional

Coulomb interaction in monolayer transition-metal dichalcogenides

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Ab initio modelling of two-dimensional semiconductors

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Exciton-Scattering-Induced Dephasing in Two-Dimensional Semiconductors.

Enhanced Coulomb interactions in monolayer transition metal dichalcogenides cause tightly bound electron-hole pairs (excitons) that dominate their linear and nonlinear optical response. The latter

Symmetry-dependent exciton-exciton interaction and intervalley biexciton in monolayer transition metal dichalcogenides

The multivalley band structure of monolayer transition metal dichalcogenides (TMDs) gives rise to intravalley and intervalley excitons. Much knowledge of these excitons has been gained, but



In-Plane Propagation of Light in Transition Metal Dichalcogenide Monolayers: Optical Selection Rules.

Experimental results are in agreement with the optical selection rules deduced from group theory analysis, highlighting the key role played by the different symmetries of the conduction and valence bands split by the spin-orbit interaction.

Monte Carlo Methods in Statistical Physics

This book provides an introduction to Monte Carlo simulations in classical statistical physics and is aimed both at students beginning work in the field and at more experienced researchers who wish

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