相关论文: Robust band gap and half-metallicity in graphene w…

Moir\'e superlattices that consist of two or more layers of two-dimensional materials stacked together with a small twist angle have emerged as a tunable platform to realize various correlated and topological phases, such as Mott…

Controlling the electronic structure of two-dimensional materials using the combination of twist angle and electrostatic doping is an effective means to induce emergent phenomena. In bilayer graphene with an interlayer twist angle near the…

Graphene multilayers exhibit electronic spectra that depend sensitively on both the number of layers and their stacking order. Beyond trilayer graphene, mixed stacking sequences (alternating Bernal and rhombohedral layers) give rise to…

Using a tight-binding model along with the mean-field Hubbard method, we investigate the effect of twisting angle on the magnetic properties of twisted bilayer graphene (tBLG) quantum dots (QDs) with triangular shape and zigzag edges. We…

Finite-length armchair graphene nanoribbons can behave as one dimensional topological materials, that may show edge states in their zigzag-terminated edges, depending on their width and termination. We show here a full solution of…

Most studies on moir\'e superlattices formed from a stack of h-BN and graphene have focused on single layer graphene; graphene with multiple layers is less understood. Here, we show that a moir\'e superlattice of multilayer graphene shows…

Zigzag nanoribbons of monolayer graphene-like two-dimensional materials host spontaneous edge magnetism at the zigzag terminations, whose configuration controls the band gap. In this article, the edge magnetism of zigzag nanoribbons of…

The Landau level spectrum of graphene superlattices is studied using a tight-binding approach. We consider non-interacting particles moving on a hexagonal lattice with an additional one-dimensional superlattice made up of periodic square…

In this study, we investigate the electronic and magnetic properties of graphane nanoribbons. We find that zigzag and armchair graphane nanoribbons with H-passivated edges are nonmagnetic semiconductors. While bare armchair ribbons are also…

At B3LYP level of theory, we predict that the half-metallicity in zigzag edge graphene nanoribbon (ZGNR) can be realized when an external electric field is applied across the ribbon. The critical electric field to induce the…

We analyze the electronic structure of twisted bilayer graphene (TBG) nanoribbons close to the magic angle. We describe a transition from an incomplete to a complete moir\'e structure. By considering zigzag and armchair edge terminations,…

Rhombohedral (ABC-stacked) multilayer graphene hosts interaction-driven phases enabled by surface flat bands at large displacement fields. In thick flakes, however, strong screening suppresses internal electric fields, raising the question…

Flat electronic bands can accommodate a plethora of interaction driven quantum phases, since kinetic energy is quenched therein and electronic interactions therefore prevail. Twisted bilayer graphene, near so-called the "magic angles",…

We investigate the electronic and optical properties of lateral heterostructures made of alternated armchair ribbons of graphene and hexagonal boron nitride. It is known that the gapwidth of these heterostructures can be classified into…

We propose a class of graphene nanoribbons showing strong intrinsic ferromagnetic behavior due to their asymmetry. Such ribbons are based on a zig-zag edged backbone surmounted by a periodic, triangular notched region of variable size. The…

We show within a local self-consistent mean-field treatment that a random distribution of magnetic adatoms can open a robust gap in the electronic spectrum of graphene. The electronic gap results from the interplay between the nature of the…

ABC-stacked multilayer graphene (ABC-MLG) exhibits topological surface flat bands with a divergent density of states, leading to many-body instabilities at charge neutrality. Here, we explore electronic ordering within a mean-field approach…

In graphene moir\'e superlattices, electronic interactions between layers are mostly hidden as band structures get crowded because of folding, making their interpretation cumbersome. Here, the evolution of the electronic band structure as a…

The geometric properties of a lattice can have profound consequences on its band spectrum. For example, symmetry constraints and geometric frustration can give rise to topologicially nontrivial and dispersionless bands, respectively.…

The edge reconstruction of zigzag graphene nanoribbons to a stable line of alternatively fused seven and five membered rings with hydrogen passivation has been studied within density functional theory with both localized and extended basis…