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Ground state diffusion Monte Carlo is used to investigate the bindingenergies and carrier probability distributions of excitons, trions, andbiexcitons in a variety of two-dimensional transition metal dichalcogenidematerials. We compare these results to approximate variational calculations, aswell as to analogous Monte Carlo calculations performed with simplified carrierinteraction potentials. Our results highlight the successes and failures ofapproximate approaches as well as the physical features that determine thestability of small carrier complexes in monolayer transition metaldichalcogenide materials. Lastly, we discuss points of agreement anddisagreement with recent experiments.

Binding energies and spatial structures of small carrier complexes in monolayer transition metal dichalcogenides via diffusion Monte Carlo