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The discovery of different phases as a result of correlations, especially in low-dimensional materials, has been always an exciting and fundamental subject of research. Recent experiments on twisted bilayer graphene have revealed reentrant…
We have used ab initio density functional theory, incorporating van der Waals corrections, to study twisted bilayer graphene (TBLG) where Stone-Wales defects or monovacancies are introduced in one of the layers. We compare these results to…
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 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…
Superlattices from twisted graphene mono- and bi-layer systems give rise to on-demand many-body states such as Mott insulators and unconventional superconductors. These phenomena are ascribed to a combination of flat bands and strong…
Motivated by recent experiments probing the wavefunctions of magic-angle twisted bilayer graphene (tBLG), we perform large-scale first-principles calculations of tBLG with full atomic relaxation across a wide range of twist angles down to…
Understanding and tuning correlated states is of great interest and significance to modern condensed matter physics. The recent discovery of unconventional superconductivity and Mott-like insulating states in magic-angle twisted bilayer…
The introduction of 'twist' or relative rotation between two atomically thin van der Waals (vdW) membranes gives rise to periodic Moire potential, leading to a substantial altercation of the band structure of the planar assembly. While most…
Stacking order has strong influence on the coupling between the two layers of twisted bilayer graphene (BLG), which in turn determines its physical properties. Here, we report the investigation of the interlayer coupling of the epitaxially…
Recently twisted bilayer graphene (t-BLG) emerges as a new strongly correlated physical platform near a magic twist angle, which hosts many exciting phenomena such as the Mott-like insulating phases, unconventional superconducting behavior…
A low twist angle between the two stacked crystal networks in bilayer graphene enables self-organized lattice reconstruction with the formation of a periodic domain. This superlattice modulates the vibrational and electronic structures,…
We show that intervalley coupling can be induced in twisted bilayer graphene (TBG) by aligning the bottom graphene layer with either of two types of commensurate insulating triangular Bravais lattice substrate. The intervalley coupling…
Moir\'e superlattices of two-dimensional (2D) materials with a small twist angle are thought to exhibit appreciable flexoelectric effect, though unambiguous confirmation of their flexoelectricity is challenging due to artifacts associated…
Physical properties of two-dimensional van der Waals (vdWs) structures depend sensitively on both stacking orders and interlayer interactions. Yet, in most cases studied to date, the interlayer interaction is considered to be a static…
Imposing incommensurable periodicity on the periodic atomic lattice can lead to complex structural phases consisting of locally periodic structure bounded by topological defects. Twisted trilayer graphene (TTG) is an ideal material platform…
We present a theoretical investigation of the magnetic properties exhibited by twisted bilayer graphene (TBG) systems with small twist angles, where the appearance of flat minibands strongly enhances electron-electron interaction effects.…
Controlling the electronic structure of two-dimensional materials using the combination of twist angle and electrostatic doping is an effective means to induce emergent phenomena. In bilayer graphene with an interlayer twist angle near the…
Twisted bilayer graphene (tBLG) has emerged as a promising platform to explore exotic electronic phases. However, the formation of moir\'e patterns in tBLG has thus far been confined to the introduction of twist angles between the layers.…
Van der Waals (vdW) heterostructures consisting of bilayer graphene (BLG) encapsulated within monolayers of strong spin-orbit semiconductor WS$_2$ or ferromagnetic semiconductor Cr$_2$Ge$_2$Te$_6$ (CGT), are investigated. By performing…
Twisted van der Waals heterostructures with flat electronic bands have recently emerged as a platform for realizing correlated and topological states with an extraordinary degree of control and tunability. In graphene-based moir\'e…