相关论文: Torsional Periodic Lattice Distortions and Diffrac…
Moir\'e superlattices in van der Waals heterostructures provide a tunable platform to study emergent properties that are absent in the natural crystal form. Twisted bilayer transition metal dichalcogenides (TB-TMDs) can host moir\'e flat…
An important step in understanding the exotic electronic, vibrational, and optical properties of the moir\'{e} lattices is the inclusion of the effects of structural relaxation of the un-relaxed moir\'{e} lattices. Here, we propose novel…
Transition metal dichalcogenide (TMD) bilayers with an interlayer twist exhibit a moire super-period, whose effects can manifest in both structural and electronic properties. Atomic displacements can lead to reconstruction into domains of…
Moir\'e-superlattices are ubiquitous in 2D heterostructures, strongly influencing their electronic properties. They give rise to new Dirac cones and are also at the origin of the superconductivity observed in magic-angle bilayer graphene.…
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.…
When two layers of two-dimensional materials are assembled with a relative twist, moir\'e patterns arise, inducing a tremendous wealth of exotic phenomena. In this work, we consider twisting two triangular lattices hosting Dirac quantum…
The discovery of superconductivity in twisted bilayer and twisted trilayer graphene has generated tremendous interest. The key feature of these systems is an interplay between interlayer coupling and a moir\'e superlattice that gives rise…
Moir\'e superlattices formed in stacks of two or more 2D crystals with similar lattice structures have recently become excellent platforms to reveal new physics in low-dimensional systems. They are, however, highly sensitive to the angle…
Inter-twisted bilayers of two-dimensional (2D) materials can host low-energy flat bands, which offer opportunity to investigate many intriguing physics associated with strong electron correlations. In the existing systems, ultra-flat bands…
The moir\'e superlattices formed by stacking 2D semiconducting transition metal dichalcogenides (TMDs) with twisting angle or lattice mismatch have provided a versatile platform with unprecedented tunability for exploring many frontier…
Ultraflat bands in twisted bilayers of two-dimensional materials have potential to host strong correlations, including the Mott-insulating phase at half-filling of the band. Using first principles density functional theory calculations, we…
The crystal structure of a material creates a periodic potential that electrons move through giving rise to the electronic band structure of the material. When two-dimensional materials are stacked, the twist angle between the layers…
Moir\'e phonons describe collective vibrations of a moir\'e superlattice produced by long-wavelength relative displacements of the constituent layers. Despite coming from the backfolding of the acoustic phonons of the individual layers,…
Twisted graphene bilayers provide a versatile platform to engineer metamaterials with novel emergent properties by exploiting the resulting geometric moir\'{e} superlattice. Such superlattices are known to host bulk valley currents at tiny…
Atomically thin two-dimensional (2D) materials can be vertically stacked with van der Waals bonds, which enable interlayer coupling. In the particular case of transition metal dichalcogenide (TMD) bilayers, the relative direction between…
Moir\'e superlattices in two-dimensional (2D) materials exhibit rich quantum phenomena, but ab initio modelling of these systems remains computationally prohibitive. Existing machine learning methods for accelerating density-functional…
Overlaying two graphene layers with a small twist angle can create a moire superlattice to realize exotic phenomena that are entirely absent in graphene monolayer. A representative example is the predicted formation of localized…
The ability in experiments to control the relative twist angle between successive layers in two-dimensional (2D) materials offers a new approach to manipulating their electronic properties; we refer to this approach as "twistronics". A…
Moir\'e superlattices (MSL) formed in angle-aligned bilayers of van der Waals materials have become a promising platform to realize novel two-dimensional electronic states. Angle-aligned trilayer structures can form two sets of MSLs which…
In this paper, we propose an extended plane wave framework to make the electronic structure calculations of the twisted bilayer 2D material systems practically feasible. Based on the foundation in [Y. Zhou, H. Chen, A. Zhou, J. Comput.…