Related papers: Twist-Angle Engineering of Moir\'e Potentials for …
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…
Twisted van der Waals materials have risen as highly tunable platform for realizing unconventional superconductivity. Here we demonstrate how a topological superconducting state can be driven in a twisted graphene multilayer at a twist…
The interlayer energy of the twisting bilayer graphene is investigated by the molecular mechanics method using both the registry-dependent potential and the Lennard-Jones potential. Both potentials show that the interlayer energy is…
We have investigated interlayer interactions in the bilayer PtTe$_{2}$ system, which influence the electronic energy bands near the Fermi levels. Our diffusion Monte Carlo (DMC) calculations for the high-symmetry bilayer stackings (AA, AB,…
Structural superlubricity based on twisted layered materials has stimulated great research interests. Recent MD simulations show that the circular twisted bilayer graphene (tBLG) presenting a size scaling of friction with strong…
The geometric, electronic and magnetic properties of silicene-related systems present the diversified phenomena through the first-principles calculations. The critical factors, the group-IV monoelements, buckled/planar structures, stacking…
Evidence of flat-band magnetism and half-metallicity in compressed twisted bilayer graphene is provided with first-principles calculations. We show that dynamic band-structure engineering in twisted bilayer graphene is possible by…
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…
Moire superlattices are twisted bilayer materials, in which the tunable interlayer quantum confinement offers access to new physics and novel device functionalities. Previously, moire superlattices were built exclusively using materials…
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…
We theoretically investigated phonon dispersion in AA-stacked, AB-stacked and twisted bilayer graphene with various rotation angles. The calculations were performed using the Born-von-Karman model for the intra-layer atomic interactions and…
Continuum atomic relaxation models for twisted bilayer graphene involve minimization of the sum of intralayer elastic energy and interlayer adhesion energy. The elastic energy favors a rigid twist i.e. no distortion in the twisted honeycomb…
We present a theoretical study of the intrinsic plasmonic properties of twisted bilayer graphene (TBG) as a function of the twist angle $\theta$ (and other microscopic parameters such as temperature and filling factor). Our calculations,…
Recent measurements in several different laboratories report the observation of an approximately linear-in-temperature resistivity with a large twist-angle-dependent slope (or temperature coefficient) in moir\'e twisted bilayer graphene…
The vibrational properties of twisted bilayer graphene (tBLG) show complex features, due to the intricate energy landscape of its low-symmetry configurations. A machine learning-based approach is developed to provide a continuous model…
Angle disorder is an intrinsic feature of twisted bilayer graphene and other moir\'e materials. Here, we discuss electron transport in twisted bilayer graphene in the presence of angle disorder. We compute the local density of states and…
Twisted bilayer graphene (tBLG) devices with ion gel gate dielectrics are studied using Raman spectroscopy in the twist angle regime where a resonantly enhanced G band can be observed. We observe prominent splitting and intensity quenching…
The electronic and structural properties of atomically thin materials can be controllably tuned by assembling them with an interlayer twist. During this process, constituent layers spontaneously rearrange themselves in search of a lowest…
In a multi-layer electronic system, stacking order provides a rarely-explored degree of freedom for tuning its electronic properties. Here we demonstrate the dramatically different transport properties in trilayer graphene (TLG) with…
The rich physics of magic angle twisted bilayer graphene (TBG) results from the Coulomb interactions of electrons in flat bands of non-trivial topology. While the bands' dispersion is well characterized, accessing their topology remains an…