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To have a fully ab initio description of the Moir\'e pattern in a transition metal dichalcogenide heterobilayer, we have carried out density functional theory calculations, taking accounts of both atomic registry in and the lattice…
Controlling magnetism and electronic properties of two-dimensional (2D) materials by purely electrical means is crucial and highly sought for high-efficiency spintronics devices since electric field can be easily applied locally compared…
Moir\'e heterostructures provide a powerful framework for tailoring electronic band structures via controlled long-range periodic superlattice potentials. Beyond widely studied moir\'e-tailored flat bands, folded band structures can host…
MA2Z4 monolayers form a new class of hexagonal non-centrosymmetric materials hosting extraordinary spin-valley physics. While only two compounds (MoSi2N4 and WSi2N4) were recently synthesized, theory predicts interesting (opto)electronic…
Transition metal dichalcogenide monolayers provide an emerging material system to implement quantum photonics with intrinsic two-dimensional excitons or embedded zero-dimensional localized states. Here we demonstrate the mesoscopic…
Manipulating the valley degree of freedom to encode information for potential valleytronic devices has ignited a new direction in solid-state physics. A significant, fundamental challenge in the field of valleytronics is how to generate and…
Polarons are quasiparticles that arise from the interaction of electrons or holes with lattice vibrations. Though polarons are well-studied across multiple disciplines, experimental observations of polarons in two-dimensional crystals are…
We perform a comprehensive first-principles study of the electronic properties of van der Waals (vdW) trilayers via intercalating a two-dimensional (2D) monolayer (ML = BN, MoSe2, WS2, or WSe2) between MoS2 bilayer to form various…
Recent discoveries of the photoresponse of molybdenum disulfide (MoS2) have shown the considerable potential of these two-dimensional transition metal dichalcogenides for optoelectronic applications. Among the various types of…
Crystalline two-dimensional (2D) superconductors with low carrier density are an exciting new class of materials in which superconductivity coexists with strong interactions, the effects of complex topology are not obscured by disorder, and…
Semiconductor heterostructures provide a powerful platform for the engineering of excitons. Here we report the excitonic properties of two-dimensional (2D) heterostructures that consist of monolayer MoS2 and WS2 stacked epitaxially or…
Radial superlattices are nanostructured materials obtained by rolling-up thin solid films into spiral-like tubular structures. The formation of these "high-order" superlattices from two-dimensional crystals or ultrathin films is expected to…
Transition-metal dichalcogenides open novel opportunities for the exploration of exciting new physics and devices. As a representative system, 2H-MoS$_2$ has been extensively investigated owing to its unique band structure with a large band…
A monolayer of $MoS_{2}$ has a non-centrosymmetric crystal structure, with spin polarized bands. It is a two valley semiconductor with direct gap falling in the visible range of the electromagnetic spectrum. Its optical properties are of…
Many recent studies show that superconductivity not only exists in atomically thin monolayers but can exhibit enhanced properties such as higher transition temperature and stronger critical field. Nevertheless, besides being air unstable,…
Moir\'e superlattices in twisted van der Waals materials constitute a promising platform for engineering electronic and optical properties. However, a major obstacle to fully understanding these systems and harnessing their potential is the…
Two-dimensional (2D) layered materials-based field-effect transistors (FETs) are promising for ultimate scaled electron device applications because of the improved electrostatics to atomically thin body thickness. However, compared with the…
Photostriction is predicted for SnS and SnSe monolayers, two-dimensional ferroelectrics with rectangular unit cells (the lattice vector $\mathbf{a}_1$ is larger than $\mathbf{a}_2$) and an intrinsic dipole moment parallel to $\mathbf{a}_1$.…
We discuss peculiarities of bulk and surface polaritons propagating in a composite magnetic-semiconductor superlattice influenced by an external static magnetic field. Three particular configurations of magnetization, namely the Voigt,…
MoS2 is a layered two-dimensional material with strong spin-orbit coupling and long spin lifetime, which is promising for electronic and spintronic applications. However, because of its large band gap and small electron affinity, a…