Multifaceted moiré superlattice physics in twisted WSe${}_2$ bilayers

Abstract

Lattice reconstruction in twisted transition-metal dichalcogenide (TMD) bilayers gives rise to piezo- and ferroelectric moiré potentials for electrons and holes, as well as a modulation of the hybridisation across the bilayer. Here, we develop hybrid $\mathbf{k}\cdot \mathbf{p}$ tight-binding models to describe electrons and holes in the relevant valleys of twisted TMD homobilayers with parallel (P) and anti-parallel (AP) orientations of the monolayer unit cells. We apply these models to describe moiré superlattice effects in twisted WSe${}_2$ bilayers, in conjunction with microscopic \emph{ab initio} calculations, and considering the influence of encapsulation, pressure and an electric displacement field. Our analysis takes into account mesoscale lattice relaxation, interlayer hybridisation, piezopotentials, and a weak ferroelectric charge transfer between the layers, and describes a multitude of possibilities offered by this system, depending on the choices of P or AP orientation, twist angle magnitude, and electron/hole valley.

arXiv comment44 pages, 27 figures, 6 appendices. For v2: Modelling and analysis for Q-point bands and minibands added

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Cited by in corpus (27)

• Magic in twisted transition metal dichalcogenide bilayers
• Cumulative Polarization Coexisting with Conductivity at Interfacial Ferroelectrics
• Programming Correlated Magnetic States via Gate Controlled Moiré Geometry
• Valley-Polarized Quantum Anomalous Hall State in Moiré MoTe${}_2$/WSe${}_2$ Heterobilayers
• Polarization-driven band topology evolution in twisted MoTe${}_2$ and WSe${}_2$
• Quantum anomalous Hall effect from inverted charge transfer gap
• Visualizing moiré ferroelectricity via plasmons and nano-photocurrent in graphene/twisted-WSe2 structures
• Observation of flat $\Gamma$ moiré bands in twisted bilayer WSe${}_2$
• Tunable spin and valley excitations of correlated insulators in $\Gamma$-valley moiré bands
• Stacking-dependent exciton multiplicity in WSe${}_2$ bilayers
• Band structure engineering using a moiré polar substrate
• Hidden States and Dynamics of Fractional Fillings in tMoTe2 Moiré Superlattices
• Moiré band structures of twisted phosphorene bilayers
• Experimental signature of layer skyrmions and implications for band topology in twisted WSe2 bilayers
• Evolution of flat bands in MoSe${}_2$/WSe${}_2$ moiré lattices: A study combining machine learning and band unfolding methods
• An $O(N)$ $Abinitio$ Calculation Scheme for Large-Scale Moiré Structures
• Scaleability of dielectric susceptibility ${\epsilon }_{zz}$ with the number of layers and additivity of ferroelectric polarization in van der Waals semiconductors
• Ferroelectricity in twisted double bilayer graphene
• Moiré Band Engineering in Twisted Trilayer WSe2
• Ultrafast control of moiré pseudo-electromagnetic field in homobilayer semiconductors
• Plasmonic polarization sensing of electrostatic superlattice potentials
• Twistronics and moiré superlattice physics in 2D transition metal dichalcogenides
• Spin-polarized transport properties in magnetic moiré superlattices
• Long wavelength interdomain phonons and instability of dislocations in small-angle twisted bilayers
• Quasi-bound layer-breathing phonons inside perfect dislocations of lattice-relaxed twisted bilayers
• Superconducting cavity probes sliding ferroelectricity in small-angle twisted WSe${}_2$
• Origin of Moiré Potentials in WS${}_2$/WSe${}_2$ Heterobilayers: Contributions from Lattice Reconstruction and Interlayer Charge Transfer