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We implement a self-consistent Hartree-Fock approximation based on a microscopic model in real space, which allows us to consider the interplay between the Hubbard and the extended Coulomb interaction in twisted bilayer graphene at the…
Based on first-principles density-functional theory calculations, we present a comparative study of the elec- tronic structures of ultranarrow zigzag graphene nanoribbons (ZGNRs) embedded in hexagonal boron nitride (BN) sheet and fully…
We analyze the effects of the long-range Coulomb interaction on the distribution of Berry curvature among the bands near charge neutrality of twisted bilayer graphene (TBG) closely aligned with hexagonal boron nitride (hBN). Due to the…
In the present paper, we describe the antiferromagnetic and excitonic correlations in the AA-stacked bilayer graphene. We consider the applied external electric field potential to the structure which leads to the electronic charge imbalance…
We study the structural relaxation and electronic properties of a one-dimensional (1D) moir\'e system composed of a zigzag graphene nanoribbon (GNR) placed on a hexagonal boron nitride (hBN) substrate. Using an effective grid model derived…
Insights into the fundamental properties of graphene's Dirac-Weyl fermions have emerged from studies of electron tunnelling transistors in which an atomically thin layer of hexagonal boron nitride (hBN) is sandwiched between two layers of…
The Coulomb interaction is widely known to enhance the effective mass of interacting particles and therefore tends to favor a localized state at commensurate filling. Here, we will show that, in contrast to this consensus, in a van der…
Rhombohedral-stacked multilayer graphene aligned with hexagonal boron nitride has emerged as an excellent platform for investigating exotic quantum phenomena arising from the interplay between electron correlations and nontrivial topology.…
Towards spin selective electronics made of three coordinated carbon atoms, here we computationally propose robust and reversibly bias driven evolution of pristine undoped graphene nano-ribbons(GNR) into ferromagnetic-semiconductor, metal or…
We examine the electronic structure of recently fabricated in-plane heterojunctions of zigzag graphene nanoribbons embedded in hexagonal boron nitride. We focus on hitherto unexplored interface configurations in which both edges of the…
We investigated the electronic and optical properties of bilayer AB stacked Boron and Nitrogen vacancies in hexagonal Boron Nitride (h-BN) using density functional theory (DFT). The density of states (DOS) and electronic band structure…
Graphene-based moir\'{e} systems have attracted considerable interest in recent years as they display a remarkable variety of correlated phenomena. Besides insulating and superconducting phases in the vicinity of integer fillings of the…
Hexagonal boron nitride (hBN) is drawing increasing attention as an insulator and substrate material to develop next generation graphene-based electronic devices. In this paper, we investigate the quantum transport in heterostructures…
A number of moir\'e graphene systems have nearly flat topological bands where electron motion is strongly correlated. Though microscopically these systems are only quasiperiodic, they can typically be treated as translation invariant to an…
By atomistic modeling of moir{\'e} patterns of graphene on a substrate with a small lattice mismatch, we find qualitatively different strain distributions for small and large misorientation angles, corresponding to the…
We report intriguing and hitherto overlooked low-field room temperature extremely large magnetoresistance (XMR) patterns in graphene/hexagonal boron nitride (h-BN) superlattices that emerge due to the existence of open orbits within each…
The quantum anomalous Hall (QAH) effect is sometimes observed in twisted bilayer graphene (tBG) when it is nearly aligned with an encapsulating hexagonal boron nitride (hBN) layer. We propose that the appearance or absence of the QAH effect…
We predict topological electron crystals driven by the interplay of interlayer Coulomb attraction and topological miniband physics in bilayer graphene--Mott insulator heterostructures. Charge transfer creates a charge neutral, mass…
This work presents an ab-initio study of a few-layers hexagonal boron nitride (hBN) and hBN-graphene heterostructure sandwiched between Ni(111) layers. The aim of this study is to understand the electron transmission process through the…
Moir\'e superlattices (MSL) formed in angle-aligned bilayers of van der Waals materials have become a promising platform to realize novel two-dimensional electronic states. Angle-aligned trilayer structures can form two sets of MSLs which…