Related papers: Interlayer interaction, shear vibrational mode, an…
The structure and dynamics of a molecular system is governed by its potential energy surface (PES), representing the total energy as a function of the nuclear coordinates. Obtaining accurate potential energy surfaces is limited by the…
Twisted bilayer graphene is an exciting platform for exploring correlated quantum phases, extremely tunable with respect to both the single-particle bands and the interaction profile of electrons. Here, we investigate the phase diagram of…
The low symmetry and anistropic lattice of 1T$'$ WTe$_2$ is responsible for the existence of parallel one-dimensional channels in the moir\'e patterns of twisted bilayers. This gives the opportunity to explore moir\'e physics of a different…
We study, within the tight-binding approximation, the electronic properties of a graphene bilayer in the presence of an external electric field applied perpendicular to the system -- \emph{biased bilayer}. The effect of the perpendicular…
Moire superlattices in twisted bilayer graphene (TBG) and its derived structures can host exotic correlated quantum phenomena because the narrow moire flat minibands in those systems effectively enhance the electron-electron interaction.…
Understanding the interfacial electrical properties between metallic electrodes and low dimensional semiconductors is essential for both fundamental science and practical applications. Here we report the observation of thickness reduction…
We evaluate the electronic transmission and conductance in bilayer graphene through a finite number of potential barriers. Further, we evaluate the dispersion relation in a bilayer graphene superlattice with a periodic potential applied to…
Surface plasmon resonance (SPR) is generally observed by excitation of surface plasmon polaritons on the metal (Au/Ag) surface. In order to utilize the SPR phenomenon for sensing application, the metal surface is functionalized with…
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…
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…
Moire patterns result from setting a 2D material such as graphene on another 2D material with a small twist angle or from the lattice mismatch of 2D heterostructures. We present a continuum model for the elastic energy of these bilayer…
Misoriented bilayer graphene with commensurate angles shows unique magneto-optical properties. The optical absorption spectra of such a system strongly depend on the angle of rotation. For a general commensurate twist angle the absorption…
Two monolayers of graphene twisted by a small `magic' angle exhibit nearly flat bands leading to correlated electronic states and superconductivity, whose precise nature including possible broken symmetries, remain under debate. Here we…
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…
We present a comprehensive first-principles study of twisted bilayer graphene (tBLG) for a wide range of twist angles, with a focus on structural and electronic properties. By employing density functional theory (DFT) with an optimized…
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.…
We investigate the interaction energy between two colloidal particles on or immersed in nonadsorbing polymer brushes grafted onto the substrate as a function of the separation of the particles by use of self-consistent field theory…
Disclinations in a 2D sheet create regions of Gaussian curvature whose inversion produces a reconfigurable surface with many distinct metastable shapes, as shown by molecular dynamics of a disclinated graphene monolayer. This material has a…
Twisted double bilayer graphene has recently emerged as an interesting moir\'e material that exhibits strong correlation phenomena that are tunable by an applied electric field. Here we study the atomic and electronic properties of three…
In this paper, we extend the discrete-to-continuum procedure we developed in our previous work to derive a continuum variational model for a hexagonal twisted bilayer material in which one layer is fixed. We use a discrete energy containing…