Related papers: Multi Moire Networks in Engineered Lateral Hetero-…
Semiconductor moir\'e superlattices provide a highly tunable platform to study the interplay between electron correlation and band topology. For example, the generalized Kane-Mele-Hubbard model can be simulated by the topological moir\'e…
Moire materials, created by lattice-mismatch or/and twist-angle, have spurred great interest in excavating novel quantum phases of matter. Latterly, emergent interfacial ferroelectricity has been surprisingly found in spatial inversion…
The efficient optical second-harmonic generation (SHG) of two-dimensional (2D) crystals, coupled with their atomic thickness that circumvents the phase-match problem, has garnered considerable attention. While various 2D heterostructures…
Controlling the bandgap through local-strain engineering is an exciting avenue for tailoring optoelectronic materials. Two-dimensional crystals are particularly suited for this purpose because they can withstand unprecedented…
Moire superlattices of transition metal dichalcogenide (TMD) bilayers have been shown to host correlated electronic states, which arises from the interplay of emergent moire potential and long-range Coulomb interactions. Here we…
Moir\'e superlattices formed by vertically stacking van der Waals layers host a rich variety of correlated electronic phases and function as novel photonic materials. The moir\'e potential of the superlattice, however, is fixed by the…
The ability to engineer nonlinear optical processes in all-dielectric nanostructures is both of fundamental interest and highly desirable for high-performance, robust, and miniaturized nonlinear optical devices. Herein, we propose a novel…
Layered transition metal chalcogenides are promising hosts of electronic Weyl nodes and topological superconductivity. MoTe$_2$ is a striking example that harbors both noncentrosymmetric T$_d$ and centrosymmetric T' phases, both of which…
Atomically thin 2D materials provide a wide range of basic building blocks with unique properties, making them ideal for heterogeneous integration with a mature chip platform. An understanding the role of excitons in transition metal…
The stacked two layered materials with a lattice constant mismatch and/or with twist angle relative to each other can create a moir\'e pattern, modulating the electronic properties of the pristine materials. Here, we combine scanning…
We have performed a comprehensive first-principles study of the electronic and magnetic properties of two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se). For M = Mo, Cr, W;…
Topological photonics enables robust light manipulation with third-order optical nonlinearity, yet integrating second-order optical nonlinearity into a topological system faces fundamental challenges: frequency-dependent topological…
Atoms within moir\'e bilayers relax in-plane to minimize elastic energy [e.g., Cazeaux et al., J. Elast. 154, 443 (2023)]; such relaxation brings their space group symmetries down to P1. Here, the ab initio second harmonic generation (SHG)…
We develop the moir\'e band theory for M-valley twisted square homobilayers with layer groups $P$-$42m$ and $P$-$4m2$, and propose candidate material realizations. We show that moir\'e ferroelectricity-originating from sliding…
Van der Waals layered materials, such as transition metal dichalcogenides (TMDs), are an exciting class of materials with weak interlayer bonding which enables one to create van der Waals heterostructures (vdWH). Recent work has shown that…
Electrical tuning of second-order nonlinearity in optical materials is attractive to strengthen and expand the functionalities of nonlinear optical technologies, though its implementation remains elusive. Here, we report the electrically…
Motivated by recent experimental observations of opposite Chern numbers in $R$-type twisted MoTe$_2$ and WSe$_2$ homobilayers, we perform large-scale density-functional-theory (DFT) calculations with machine learning force fields to…
Layered inorganic materials, such as the transition metal dichalcogenides (TMDs), have attracted much attention due to their exceptional electronic and optical properties. Reliable synthesis and characterization of these materials must be…
In transition metal dichalcogenides (TMDCs), charge carriers have spin, pseudospin, and valley degrees of freedom associated with magnetic moments. The monolayers and bilayers of the TMDCs, in particular, MoS$_2$, lead strong couplings…
The impressive physics and applications of intra- and interlayer excitons in a transition metal dichalcogenide twisted-bilayer make these systems compelling platforms for exploring the manipulation of their optoelectronic properties through…