Related papers: Precise Twist Angle Determination in twisted WSe2 …
Moir\'e superlattices of van der Waals heterostructures provide a powerful new way to engineer the electronic structures of two-dimensional (2D) materials. Many novel quantum phenomena have emerged in different moir\'e heterostructures,…
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…
The relative twist angle between layers of near-lattice-matched van der Waals materials is critical for the emergent correlated phenomena associated with moire flat bands. However, the concept of angle rotation control is not exclusive to…
Magic-angle twisted bilayer graphene (TBG) has attracted significant interest recently due to the discoveries of diverse correlated and topological states in this system. Despite the extensive research on the electron-electron interaction…
We present a systematic theoretical study on the structural and electronic properties of twisted trilayer transition metal dichalcogenide (TMD) WSe$_2$, where two independent moir\'e patterns form between adjacent layers. Using a continuum…
We investigate the optical properties of interlayer excitons in heterobilayer transition metal dichalcogenides where moir\'e pattern is introduced by heterostrain, in comparison with that introduced by twisting (and/or lattice mismatch).…
We have investigated the vibrational properties of van der Waals heterostructures of monolayer transition metal dichalcogenides (TMDs), specifically MoS2/WSe2 and MoSe2/MoS2 heterobilayers as well as twisted MoS2 bilayers, by means of…
Twisted bilayer graphene (TBG) exhibits a wide range of intriguing physical properties, such as superconductivity, ferromagnetism, and superlubricity. Depending on the twist angle, periodic moir\'e superlattices form in twisted bilayer…
While Bernal stacked bilayer graphene bears two distinct atom types in its lattice, there exists no analytical framework addressing the number of atomic environments that emerge in twisted bilayer graphene superlattices. Here, we…
According to electronic structure theory, bilayer graphene is expected to have anomalous electronic properties when it has long-period moir\'e patterns produced by small misalignments between its individual layer honeycomb lattices. We have…
In a stack of atomically-thin Van der Waals layers, introducing interlayer twist creates a moir\'e superlattice whose period is a function of twist angle. Changes in that twist angle of even hundredths of a degree can dramatically transform…
Twisted moir\'e superlattices (TMSs) are fascinating materials with exotic physical properties. Despite tremendous studies on electronic, photonic and phononic TMSs, it has never been witnessed that TMSs can exhibit higher-order band…
Twist-engineering of the electronic structure of van-der-Waals layered materials relies predominantly on band hybridization between layers. Band-edge states in transition-metal-dichalcogenide semiconductors are localized around the metal…
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…
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…
We introduce a generalizable, physics informed strategy for generating training data that enables a machine learning force field accurate over a broad range of twist angles and stacking layer numbers in moire systems. Applying this to…
Using a self-consistent Hartree-Fock theory, we show that the recently observed ferromagnetism in twisted bilayer WSe$_2$ [Nat. Commun. 16, 1959 (2025)] can be understood as a Stoner-like instability of interaction-renormalized moir\'e…
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…
Moir\'e superlattices in twisted bilayers enable profound reconstructions of the electronic bandstructure, giving rise to correlated states with remarkable tunability. Extending this paradigm to van der Waals magnets, twisting creates…
By virtue of being atomically thin, the electronic properties of heterostructures built from two-dimensional materials are strongly influenced by atomic relaxation. The atomic layers behave as flexible membranes rather than rigid crystals.…