相关论文: Relaxation Effects in Twisted Bilayer Graphene: a …
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…
A major hurdle in understanding the phase diagram of twisted bilayer graphene (TBLG) are the roles of lattice relaxation and electronic structure on isolated band flattening near magic twist angles. In this work, the authors develop an…
The structural and electronic properties of twisted bilayer graphene are investigated from first principles and tight binding approach as a function of the twist angle (ranging from the first "magic" angle $\theta=1.08^\circ$ to…
We present electronic structure calculations of twisted double bilayer graphene (TDBG): A tetralayer graphene structure composed of two AB-stacked graphene bilayers with a relative rotation angle between them. Using first-principles…
We present atomistic calculations on structural and electronic properties of twisted double bilayer graphene (TDBG) consisting of two sets of rotationally misaligned Bernal-stacked bilayer graphene. Obtained equilibrium atomic structures…
Lattice relaxation profoundly reshapes electronic structures in twisted materials. Prevailing treatments, however, typically rely on large-scale density functional theory (DFT), which is computationally costly and mechanistically opaque.…
Twisted bilayer graphene exhibits isolated, relatively flat electronic bands near charge neutrality when the interlayer rotation is tuned to specific magic angles. These small misalignments, typically below 1.1{\deg}, result in long-period…
We investigate twisted double bilayer graphene (TDBG), a four-layer system composed of two AB-stacked graphene bilayers rotated with respect to each other by a small angle. Our ab initio band structure calculations reveal a considerable…
Twisted bilayer graphene with a twist angle of around 1.1{\deg} features a pair of isolated flat electronic bands and forms a strongly correlated electronic platform. Here, we use scanning tunneling microscopy to probe local properties of…
Twisted graphene bilayers show a complex electronic structure, further modified by interaction effects. The main features can be obtained from effective models, which make use a few phenomenological parameters. We analyze the influence of…
The potential energy surface (PES) of interlayer interaction of twisted bilayer graphene with vacancies in one of the layers is investigated via density functional theory (DFT) calculations with van der Waals corrections. These calculations…
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…
Twisted bilayer graphene (TBG) exhibits a wide range of intriguing physical properties, such as superconductivity, ferromagnetism, and superlubricity. Depending on the twist angle, periodic moir\'e superlattices form in twisted bilayer…
Twisted graphene layers produce a moir\'e pattern (MP) structure with a predetermined wavelength for given twist angle. However, predicting the membrane corrugation amplitude for any angle other than pure AB-stacked or AA-stacked graphene…
We introduce a complete physical model for the single-particle electronic structure of twisted bilayer graphene (tBLG), which incorporates the crucial role of lattice relaxation. Our model, based on $k \cdot p$ perturbation theory, combines…
The recently demonstrated unconventional superconductivity in twisted bilayer graphene (tBLG) opens the possibility for interesting applications of two-dimensional layers that involve correlated electron states. Here we explore the…
Twist bilayer graphenes with magical angle have nearly flat band, which become strongly correlated electron systems. Herein, we propose another system based on strained bilayer graphene that have flat band at the intrinsic Fermi level. The…
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…
Twisted 2D layered materials have garnered a lot of attention recently as a class of 2D materials whose interlayer interactions and electronic properties are dictated by the relative rotation / twist angle between the adjacent layers. In…
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…