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Semiconducting ferroelectric materials with low energy polarisation switching offer a platform for next-generation electronics such as ferroelectric field-effect transistors. Ferroelectric domains at symmetry-broken interfaces of transition…
We apply a multiscale modeling approach to study lattice reconstruction in marginally twisted bilayers of transition metal dichalcogenides (TMD). For this, we develop DFT-parametrized interpolation formulae for interlayer adhesion energies…
The creation of moir\'e superlattices in twisted bilayers of two-dimensional crystals has been utilised to engineer quantum material properties in graphene and transition metal dichalcogenide (TMD) semiconductors. Here, we examine the…
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…
Lattice relaxation in twistronic bilayers with close lattice parameters and almost perfect crystallographic alignment of the layers results in the transformation of moir\'e pattern into a sequence of preferential stacking domains and domain…
Twisted bilayers of two-dimensional semiconductors offer a versatile platform to engineer quantum states for charge carriers using moir\'e superlattice effects. Among the systems of recent interest are twistronic MoSe${}_{2}$/WSe${}_{2}$…
Twisted heterostructures of two-dimensional crystals offer almost unlimited scope for the design of novel metamaterials. Here we demonstrate a room-temperature ferroelectric semiconductor that is assembled using mono- or few- layer MoS2.…
We investigate the domain wall network in twisted bilayer graphene (TBG) under the influence of interlayer bias and screening effect from the layered structure. Starting from the continuum model, we analyze the low-energy domain wall modes…
Moir\'e network formation in graphene bilayers breaks stacking symmetry, giving rise to domain walls that host topologically protected one-dimensional states. Here we show that these systems undergo an additional symmetry breaking at the…
Bilayers of two-dimensional van der Waals materials that lack an inversion centre can show a novel form of ferroelectricity, where certain stacking arrangements of the two layers lead to an interlayer polarization. Under an external…
Moire patterns result from setting a 2D material such as graphene on another 2D material with a small twist angle or from the lattice mismatch of 2D heterostructures. We present a continuum model for the elastic energy of these bilayer…
Van der Waals heterostructures form a massive interdisciplinary research field, fueled by the rich material science opportunities presented by layer assembly of artificial solids with controlled composition, order and relative rotation of…
The recently discovered ferroelectricity of van der Waals bilayers offers an unconventional route to improve the performance of devices. Key parameters such as switching field and speed depend on the static and dynamic properties of domain…
Artificially twisted heterostructures of semiconducting transition metal dichalcogenides (TMDs) offer unprecedented control over their electronic and optical properties via the spatial modulation of interlayer interactions and structural…
It is well known that stacking domains form in moir\'e superlattices due to the competition between the interlayer van der Waals forces and intralayer elastic forces, which can be recognized as polar domains due to the local spontaneous…
In the presence of a finite interlayer displacement field bilayer graphene has an energy gap that is dependent on stacking and largest for the stable AB and BA stacking arrangements. When the relative orientations between layers are twisted…
Vertical ferroelectricity where a net dipole moment appears as a result of in-plane ionic displacements has gained enormous attention following its discovery in transition metal dichalcogenides. Based on first-principles calculations, we…
Long-period moir\'e superlattices at the twisted interface of van der Waals heterostructures relax into preferential-stacking domains separated by dislocation networks. Here, we develop a mesoscale theory for dislocations in the networks…
At very small twist angles, bilayer moir\'e systems exhibit characteristic stacking domain patterns, where the moir\'e length scale is determined solely by the twist angle. In contrast, the additional stacking and twisting degrees of…
Twisted bilayers of two-dimensional (2D) materials are proving a fertile ground for investigating strongly correlated electron phases. This is because the moir\'e pattern introduced by the relative twist between layers introduces…