Piezoelectric networks and ferroelectric moiré superlattice domains in twistronic WS${}_2$/MoS${}_2$ and WSe${}_2$/MoSe${}_2$ bilayers

Abstract

Twistronic van der Waals heterostrutures offer exciting opportunities for engineering optoelectronic properties of nanomaterials. Here, we use multiscale modeling to study trapping of charge carriers and excitons by ferroelectric polarisation and piezoelectric charges by domain structures in twistronic WX${}_2$/MoX${}_2$ bilayers (X=S,Se). For almost aligned 2H-type bilayers, we find that holes and electrons are trapped in the opposite -- WMo and XX (tungsten over molybdenum {\it versus} overlaying chalcogens) -- corners of the honeycomb domain wall network, swapping their position at a twist angle $0.2^{\circ }$, with XX corners providing $30$\,meV deep traps for the interlayer excitons for all angles. In 3R-type bilayers, both electrons and holes are trapped in triangular "3R stacking" domains, where WX${}_2$ chalcogens set over MoX${}_2$ molybdenums, which act as $130$\,meV deep quantum boxes for interlayer excitons for twist angles $\lesssim 1^{\circ }$, for larger angles shifting towards domain wall network XX stacking sites.

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Cited by in corpus (26)

• Lattice reconstruction induced multiple ultra-flat bands in twisted bilayer WSe2
• Excitons in mesoscopically reconstructed moiré heterostructures
• Moiré excitons in MoSe${}_2$-WSe${}_2$ heterobilayers and heterotrilayers
• Exciton optics, dynamics and transport in atomically thin semiconductors
• Multifaceted moiré superlattice physics in twisted WSe${}_2$ bilayers
• Visualizing moiré ferroelectricity via plasmons and nano-photocurrent in graphene/twisted-WSe2 structures
• Flat bands, strains, and charge distribution in twisted-bilayer hBN
• Weak ferroelectric charge transfer in layer-asymmetric bilayers of 2D semiconductors
• A scalable network model for electrically tunable ferroelectric domain structure in twistronic bilayers of two-dimensional semiconductors
• Band energy landscapes in twisted homobilayers of transition metal dichalcogenides
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• Twirling and spontaneous symmetry breaking of domain wall networks in lattice-reconstructed heterostructures of 2D materials
• Self-organised quantum dots in marginally twisted MoSe${}_2$/WSe${}_2$ and MoS${}_2$/WS${}_2$ bilayers
• Moiré band structures of twisted phosphorene bilayers
• Impact of atomic reconstruction on optical spectra of twisted TMD homobilayers
• Band alignment and interlayer hybridisation in transition metal dichalcogenide/hexagonal boron nitride heterostructures
• Evolution of flat bands in MoSe${}_2$/WSe${}_2$ moiré lattices: A study combining machine learning and band unfolding methods
• Scaleability of dielectric susceptibility ${\epsilon }_{zz}$ with the number of layers and additivity of ferroelectric polarization in van der Waals semiconductors
• Polarization and charge-separation of moiré excitons in van der Waals heterostructures
• Ferroelectricity in twisted double bilayer graphene
• Two-dimensional electrons at mirror and twistronic twin boundaries in van der Waals ferroelectrics
• Thermoelectric response as a tool to observe electrocaloric effect in a thin conducting ferroelectric SnSe flake
• Twistronics and moiré superlattice physics in 2D transition metal dichalcogenides
• Theory of interlayer exciton dynamics in 2D TMDCs Heterolayers under the influence of strain reconstruction and disorder
• Electrically tunable stacking domains and ferroelectricity in moiré superlattices
• Origin of Moiré Potentials in WS${}_2$/WSe${}_2$ Heterobilayers: Contributions from Lattice Reconstruction and Interlayer Charge Transfer