Related papers: Moir\'e Superstructures in Marginally-Twisted NbSe…
Twistronics, which exploits moire modulation of lattice and electronic structures in twisted bilayers, has emerged as a powerful approach to engineer novel quantum states. Recent efforts have expanded beyond two dimensional van der Waals…
Moir\'e structures formed by twisting three layers of graphene with two independent twist angles present an ideal platform for studying correlated quantum phenomena, as an infinite set of angle pairs is predicted to exhibit flat bands.…
Small-twist-angle bilayer graphene supports strongly correlated insulating states and superconductivity. Twisted few-layer graphene systems are likely to open up new directions for strong correlation physics in moir\'e superlattices. We…
Introduction of a twist between layers of two-dimensional materials which leads to the formation of a moir\'e pattern is an emerging pathway to tune the electronic, vibrational and optical properties. The fascinating properties of these…
Moir\'e magnetism, parallel with moir\'e electronics that has led to novel correlated and topological electronic states, emerges as a new venue to design and control exotic magnetic phases in twisted magnetic two-dimensional(2D) crystals.…
The relaxation of moir\'e superlattices in twisted bilayers of transition metal dichalcogenides (TMDs) has been modeled using a set of neural-network-based approaches. We implemented and compared several architectures, including (i) an…
We develop parameters for the interlayer Kolmogorov-Crespi (KC) potential to study structural features of four transition metal dichalcogenides (TMDs): MoS$_2$, WS$_2$, MoSe$_2$ and WSe$_2$. We also propose a mixing rule to extend the…
We develop a continuum dislocation description of twist and stretch moire superlattices in 2D material bilayers. The continuum formulation is based on the topological constraints introduced by the periodic dislocation network associated…
This work presents a first-principles study of the optoelectronic properties of vertically-stacked bilayer heterostructures composed of 2D transition-metal dichalcogenides (TMDs). The calculations are performed using the density-functional…
Moir\'e superlattices in van der Waals materials have revolutionized the study of electronic and excitonic systems by creating periodic electrostatic potentials. Extending this concept to magnetic materials promises new pathways in merging…
Twisted 2D materials exhibit unique vibrational modes called moir\'e phonons, which arise from the moir\'e superlattice. Here, we demonstrate atom-by-atom imaging of phasons, an ultrasoft class of moir\'e phonons in twisted bilayer WSe2.…
At very small twist angles, bilayer moir\'e systems exhibit characteristic stacking domain patterns, where the moir\'e length scale is determined solely by the twist angle. In contrast, the additional stacking and twisting degrees of…
Twisted 2D materials form complex moir\'e structures that spontaneously reduce symmetry through picoscale deformation within a mesoscale lattice. We show twisted 2D materials contain a torsional displacement field comprised of three…
Using a multiscale computational approach, we probe the origin and evolution of ultraflatbands in moir\'e superlattices of twisted bilayer MoS$_2$, a prototypical transition metal dichalcogenide. Unlike twisted bilayer graphene, we find no…
Atomically-thin layers of two-dimensional materials can be assembled in vertical stacks held together by relatively weak van der Waals forces, allowing for coupling between monolayer crystals with incommensurate lattices and arbitrary…
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 coupling of mechanical deformation and electrical stimuli at the nanoscale has been a subject of intense investigation in the realm of materials science. Recently, twisted van der Waals (vdW) materials have emerged as a platform to…
We study the atomic structure of twisted bilayer graphene, with very small mismatch angles ($\theta \sim 0.28^0$), a topic of intense recent interest. We use simulations, in which we combine a recently presented semi-empirical potential for…
We develop an analytical theory for lattice relaxation in twisted moir\'e heterobilayers, accounting for lattice mismatch, twist, external biaxial heterostrain, and different elastic constants. Starting from continuum elasticity, we derive…
Twisted bilayer graphene (TBG) develops large moir\'e patterns at small twist angles with flat energy bands hosting domes of superconductivity. The large system size and intricate band structure have however hampered investigations into the…