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Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Diffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides
AU - Mostaani, Elaheh
AU - Szyniszewski, Marcin
AU - Price, Cameron
AU - Maezono, R.
AU - Hunt, Ryan James
AU - Drummond, Neil David
AU - Fal'ko, Vladimir I.
PY - 2017/8/22
Y1 - 2017/8/22
N2 - Excitonic effects play a particularly important role in the optoelectronic behavior of two dimensional semiconductors. To facilitate the interpretation of experimental photoabsorption andphotoluminescence 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 functions to allow a perturbative description of contact interactions between charge carriers, and (iii) an analysis and classification of the different types of bright trion and biexciton 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.
AB - Excitonic effects play a particularly important role in the optoelectronic behavior of two dimensional semiconductors. To facilitate the interpretation of experimental photoabsorption andphotoluminescence 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 functions to allow a perturbative description of contact interactions between charge carriers, and (iii) an analysis and classification of the different types of bright trion and biexciton 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.
U2 - 10.1103/PhysRevB.96.075431
DO - 10.1103/PhysRevB.96.075431
M3 - Journal article
VL - 96
JO - Physical review B
JF - Physical review B
SN - 1098-0121
M1 - 075431
ER -