Related papers: Commensurate structures in twisted transition meta…
Here we investigate how charge density waves (CDW), inherent to a monolayer, are effected by creating twisted van der Waals structures. Homobilayers of metallic transition metal dichalcogenides (TMDs), at small twist angles where there is…
Recently, the twist angle between adjacent sheets of stacked van der Waals materials emerged as a new knob to engineer correlated states of matter in two-dimensional heterostructures in a controlled manner, giving rise to emergent phenomena…
The bilayer heterostructures composed of an ultrathin ferromagnetic metal (FM) and a material hosting strong spin-orbit (SO) coupling are principal resource for SO torque and spin-to-charge conversion nonequilibrium effects in spintronics.…
Transition metal dichalcogenides host a variety of charge density wave phases that couple lattice, charge, and correlation effects. In 1T-TaS2, the commensurate and nearly commensurate states are well characterized, yet the transition near…
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…
Molecular dynamics simulations are performed to investigate the misfit strain-induced buckling of the transition-metal dichalcogenide (TMD) lateral heterostructures, denoted by the seamless epitaxial growth of different TMDs along the…
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;…
Layered transition metal dichalcogenides (TMDs) offer many attractive features for next-generation low-dimensional device geometries. Due to the practical and fabrication challenges related to in situ methods, the atomistic dynamics that…
The translation symmetry of a lattice is greatly modified when subjected to a perpendicular magnetic field [Zak, Phys. Rev. \textbf{134}, A1602 (1964)]. This change in symmetry can lead to magnetic unit cells that are substantially larger…
Twisted homobilayer transition metal dichalcogenide (TMD) offers a versatile platform for exploring band topology, interaction-driven phases, and magnetic orders. We study the interaction-driven phases in twisted TMD homobilayers and their…
Forming long wavelength moir\'e superlattices (MSL) at small-angle twist van der Waals (vdW) bilayers has been a key approach to creating moir\'e flat bands. The small-angle twist, however, leads to strong lattice reconstruction, causing…
We study the effects of strain in moir\'e systems composed of honeycomb lattices. We elucidate the formation of almost perfect one-dimensional moir\'e patterns in twisted bilayer systems. The formation of such patterns is a consequence of…
Understanding the dynamical evolution of large-scale moir\'e systems is crucial for connecting theoretical predictions with experimental observations. Here we develop a machine-learning-based workflow, integrating DeePMD and DeepH…
Recent experiments in twisted bilayer transition-metal dichalcogenides have revealed a variety of strongly correlated phenomena. To theoretically explore their origin, we combine here ab initio calculations with correlated model approaches…
We show that moir\'e bands of twisted homobilayers can be topologically nontrivial, and illustrate the tendency by studying valence band states in $\pm K$ valleys of twisted bilayer transition metal dichalcogenides, in particular, bilayer…
Twisted van der Waals heterostructures have recently been proposed as a condensed-matter platform for realizing controllable quantum models due to the low-energy moir\'e bands with specific charge distributions in moir\'e superlattices.…
Twisted transition metal dichalcogenide (TMD) bilayers exhibit periodic moir\'e potentials, which can trap excitons at certain high-symmetry sites. At small twist angles, TMD lattices undergo an atomic reconstruction, altering the moir\'e…
We present a comprehensive first-principles study of the structural and elastic properties of 2H-MX$_2$ transition metal dichalcogenides (TMDs) (M = W, Mo, Ta, Nb; X = S, Se). Using density functional theory with various van der Waals…
Transition metal dichalcogenide (TMD) twisted homobilayers have been established as an ideal platform for studying strong correlation phenomena, as exemplified by the recent discovery of fractional Chern insulator (FCI) states in twisted…
Topological flat bands at the Fermi level offer a promising platform to study a variety of intriguing correlated phase of matter. Here we present band engineering in the twisted orbital-active bilayers with spin-orbit coupling. The symmetry…