相关论文: Interlayer interaction, shear vibrational mode, an…
The experimental control over the twist angle in twisted bilayer graphene has not been reported and its realistic structure is most likely incommensurate. In this paper, we develop a tight-binding virtual crystal approximation theory to…
Stacking two atomic crystals with a twist between their crystal axes produces moir\'e potentials that modify the electronic properties. Here we show that double moir\'e potentials generated by superposing three atomic crystals create a new…
Using scanning-tunneling-microscopy and theoretical modeling on heterostructures of twisted bilayer graphene and hexagonal Boron-Nitride, we show that the emergent super-moire structures display a rich landscape of moire-crystals and…
First-principles calculations can accurately describe electron-phonon (e-ph) interactions and electronic transport in a wide range of materials, but are currently limited to unit cells with up to $\sim$100 atoms due to computational cost.…
Moir\'e systems have emerged in recent years as a rich platform to study strong correlations. Here, we will discuss a simple, experimentally feasible setup based on periodically strained graphene that reproduces several key aspects of…
We demonstrate that a single layer of graphene subject to a superlattice potential nearly commensurate to a $\sqrt{3} \times \sqrt{3}$ supercell exactly maps to the chiral model of twisted bilayer graphene, albeit with half as many degrees…
The structural relaxation of multilayer graphene is essential in describing the interesting electronic properties induced by intentional misalignment of successive layers, including the recently reported superconductivity in twisted bilayer…
When twisted to angles near 1{\deg}, graphene multilayers provide a new window on electron correlation physics by hosting gate-tuneable strongly-correlated states, including insulators, superconductors, and unusual magnets. Here we report…
Inspired by the rich physics of twisted 2D bilayer moir\'{e} systems, we study Coulomb interacting systems subjected to two overlapping finite 1D lattice potentials of unequal periods through exact numerical diagonalization. Unmatching…
The possibility of designing nanoelectromechanical systems (NEMS) based on relative motion or vibrations of graphene layers is analyzed. Ab initio and empirical calculations of the potential relief of interlayer interaction energy in…
A new nine-dimensional potential energy surface (PES) for methane has been generated using state-of-the-art \textit{ab initio} theory. The PES is based on explicitly correlated coupled cluster calculations with extrapolation to the complete…
Twisted bilayer graphene is a rich condensed matter system, which allows one to tune energy scales and electronic correlations. The low-energy physics of the resulting moir\'e structure can be mathematically described in terms of a…
Bernal bilayer graphene exhibits a band gap that is tunable through the infrared with an electric field. We show that sublattice odd commensurate twisted bilayer graphene (C-TBG) exhibits a band gap that is tunable through the terahertz…
The low energy electronic spectra of rotationally faulted graphene bilayers are studied using a long wavelength theory applicable to general commensurate fault angles. Lattice commensuration requires low energy electronic coherence across a…
The electric structure of twisted bilayer GeSe, which shows a rectangular moir\'{e} pattern, is analyzed using a $\bm{k}\cdot\bm{p}$ type effective continuum model. The effective model is constructed on the basis of the the local…
We report calculations of terahertz ellipticities in large-angle, 21.79$^\circ$ and 38.21$^\circ$, commensurate twisted bilayer graphene, and predict values as high as 1.5 millidegrees in the terahertz region for this non-magnetic material.…
We investigate how anisotropic strain reorganizes commensurate moir\'e superlattices and electronic structure in twisted bilayer graphene across a finite range of twist angles. Motivated by experiments demonstrating robust magic angle…
According to electronic structure theory, bilayer graphene is expected to have anomalous electronic properties when it has long-period moir\'e patterns produced by small misalignments between its individual layer honeycomb lattices. We have…
We present a general theoretical formulation to describe the interlayer interaction in incommensurate bilayer systems with arbitrary crystal structures. By starting from the tight- binding model with the distance-dependent transfer…
Selection rules and interference effects in angle resolved photoemission spectra from twisted graphene bilayers are studied within a long wavelength theory for the electronic structure. Using a generic model for the interlayer coupling, we…