Weak ferroelectric charge transfer in layer-asymmetric bilayers of 2D semiconductors

Abstract

In bilayers of two-dimensional (2D) semiconductors with stacking arrangements which lack inversion symmetry charge transfer between the layers due to layer-asymmetric interband hybridisation can generate a potential difference between the layers. We analyse bilayers of transition metal dichalcogenides (TMDs) - in particular, WSe${}_2$ - for which we find a substantial stacking-dependent charge transfer, and InSe, for which the charge transfer is found to be negligibly small. The information obtained about TMDs is then used to map potentials generated by the interlayer charge transfer across the moiré superlattice in twistronic bilayers.

arXiv commentTo appear in Scientific Reports

References in corpus (11)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Van der Waals heterostructures
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Observation of Electron-Hole Puddles in Graphene Using a Scanning Single Electron Transistor
• Atomic reconstruction in twisted bilayers of transition metal dichalcogenides
• Charge-polarized interfacial superlattices in marginally twisted hexagonal boron nitride
• Stacking domains and dislocation networks in marginally twisted bilayers of transition metal dichalcogenides
• Broken mirror symmetry in excitonic response of reconstructed domains in twisted MoSe${}_2$/MoSe${}_2$ bilayers
• Piezoelectric networks and ferroelectric moiré superlattice domains in twistronic WS${}_2$/MoS${}_2$ and WSe${}_2$/MoSe${}_2$ bilayers
• Flat bands, strains, and charge distribution in twisted-bilayer hBN
• Interferences of electrostatic moiré potentials and bichromatic superlattices of electrons and excitons in transition metal dichalcogenides

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• Moire Potential, Lattice Relaxation and Layer Polarization in Marginally Twisted MoS2 Bilayers
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• Self-organised quantum dots in marginally twisted MoSe${}_2$/WSe${}_2$ and MoS${}_2$/WS${}_2$ bilayers
• Band alignment and interlayer hybridisation in transition metal dichalcogenide/hexagonal boron nitride heterostructures
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• Plasmonic polarization sensing of electrostatic superlattice potentials
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