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Van der Waals (vdW) crystals are prone to twisting, sliding, and buckling due to inherently weak interlayer interactions. While thickness-controlled vdW structures have attracted considerable attention as ultrathin semiconducting channels,…
In conventional ferroelectric materials, polarization is an intrinsic property limited by bulk crystallographic structure and symmetry. Recently, it has been demonstrated that polar order can also be accessed using inherently non-polar van…
Magnetic MXenes are turning out to be an important family of materials for exploring 2D magnetism. However, investigations into the inter-dependence of layer thickness, stacking patterns and magnetism in these materials, from a microscopic…
Hybridisation of electronic bands of two-dimensional materials, assembled into twistronic heterostructures, enables one to tune their optoelectronic properties by selecting conditions for resonant interlayer hybridisation. Resonant…
Interlayer excitons in van der Waals heterostructures offer rich collective phases, prospective optoelectronic applications, and versatile tunability, where control by electronic means is particularly relevant and practical. Here, in 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…
We explore the flatness of conduction and valence bands of interlayer excitons in MoS$_2$/WSe$_2$ van der Waals heterobilayers, tuned by interlayer twist angle, pressure, and external electric field. We employ an efficient continuum model…
Due to the distinguished properties offered by different structural phases of monolayer MoS2, phase engineering design are urgently required for achieving switchable structural phase. Strain engineering is widely accepted as a clean and…
Optoelectronic properties of van der Waals homostructures can be selectively engineered by the relative twist angle between layers. Here, we study the twist-dependent moire coupling in MoSe2 homobilayers. For small angles, we find a…
The geometric, electronic and magnetic properties of silicene-related systems present the diversified phenomena through the first-principles calculations. The critical factors, the group-IV monoelements, buckled/planar structures, stacking…
In twisted bilayers of semiconducting transition metal dichalcogenides (TMDs), a combination of structural rippling and electronic coupling gives rise to periodic moir\'e potentials that can confine charged and neutral excitations. Here, we…
Layered MA$_2$Z$_4$ compounds, structural relatives of MoS$_2$ discovered in 2020, exhibit rich magnetic behavior arising from reduced dimensionality, noncentrosymmetric lattice symmetries, and stacking-dependent exchange interactions.…
We investigate the interaction between interlayer excitons and ferroelectric domains in hBN-encapsulated 3R-MoS$_2$/MoSe$_2$ heterostructures, combining photoluminescence experiments with density functional theory and many-body Green's…
Employing density functional theory-based methods, we investigate monolayer and bilayer structures of hexagonal SnS$_{2}$, which is recently synthesized monolayer metal dichalcogenide. Comparison of 1H and 1T phases of monolayer SnS$_{2}$…
Superconductivity in the two-dimensional (2D) limit is a fertile ground for exotic quantum phenomena-many of which remain elusive in their 3D counterparts. While studies of 2D superconductivity have predominantly focused on mono- or…
Moir\'e materials have become one of the most active fields in material science in recent years due to their high tunability, and their unique properties emerge from the Moir\'e-scale structure modulation. Here, we propose twisted bilayer…
Exploring the pathways of polarization switching in 2D sliding ferroelectrics with multiple internal interfaces is crucial for understanding the switching mechanism and for enhancing their performance in memory-related applications.…
Vertical and lateral heterostructures of van der Waals materials provide tremendous flexibility for band structure engineering. Since electronic bands are sensitively affected by defects, strain, and interlayer coupling, the edge and…
We introduce and classify nonequivalent commensurate stackings for bilayer dice or $\mathcal{T}_3$ lattice. For each of the four stackings with vertical alignment of sites in two layers, a tight-binding model and an effective model…
Epitaxial growth has become a promising route to achieve highly crystalline continuous two-dimensional layers. However, high-quality layer production with expected electrical properties is still challenging due to the defects induced by the…