CUED Publications database

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

Mostaani, E and Szyniszewski, M and Price, CH and Maezono, R and Danovich, M and Hunt, RJ and Drummond, ND and Fal'Ko, VI (2017) Diffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides. Physical Review B - Condensed Matter and Materials Physics, 96. 075431-. ISSN 2469-9950

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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 binding-energy 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 functions to allow a perturbative description of contact interactions between charge carriers, and (iii) an analysis and classification of the different types of bright trions and biexcitons that can be seen in single-layer molybdenum and tungsten dichalcogenides. We investigate the stability of biexcitons in which two charge carriers are indistinguishable, finding that they are only bound when the indistinguishable particles are several times heavier than the distinguishable ones. Donor/acceptor-bound biexcitons have similar binding energies to the experimentally measured biexciton binding energies. We predict the relative positions of all stable free and bound excitonic complexes of distinguishable charge carriers in the photoluminescence spectra of WSe2 and MoSe2.

Item Type: Article
Uncontrolled Keywords: cond-mat.mes-hall cond-mat.mes-hall
Divisions: Div B > Solid State Electronics and Nanoscale Science
Depositing User: Cron Job
Date Deposited: 17 Jul 2017 19:54
Last Modified: 10 Apr 2021 00:48
DOI: 10.1103/PhysRevB.96.075431