Related papers: Hybrid-functional electronic structure of multilay…
We analyze the phase diagram of multilayer-graphene sandwiched between identical transition metal dichalcogenides. Recently realized in all van-der-Wall heterostructures, these sandwiches induce sizable (1-15 meV) spin orbit coupling in the…
Chemical functionalization is a promising route to band gap engineering of graphene. We chemically grafted nitrophenyl groups onto exfoliated single-layer graphene sheets in the form of substrate-supported or free-standing films. Our…
The stacking order degree of freedom in trilayer graphene plays a critical role in determining the existence of an electric field tunable band gap. We present spatially-resolved tunneling spectroscopy measurements of dual gated Bernal (ABA)…
Although most two-dimensional (2D) materials are non-ferroelectric with highly symmetric lattices, symmetry breaking may take place in their bilayers upon certain stacking order, giving rise to so-called sliding ferroelectricity where the…
First principles calculations based on density functional theory reveal some unusual properties of BN sheet functionalized with hydrogen and fluorine. These properties differ from those of similarly functionalized graphene even though both…
Following recently published study of Prezhdo and coworkers (JPC Letters, 2014, 5, 4129-4133), we report a systematic investigation of how monovalent and divalent ions influence valence electronic structure of graphene. Pure density…
Few layer graphene (FLG) has been recently intensively investigated for its variable electronic properties defined by a local atomic arrangement. While the most natural layers arrangement in FLG is ABA (Bernal) stacking, a metastable ABC…
Twisted graphene systems have draw significant attention due to the discoveries of various correlated and topological phases. In particular, recently the alternating twisted trilayer graphene is discovered to exhibit unconventional…
We study the electronic structure of graphene with a single substitutional vacancy using a combination of the density-functional, tight-binding, and impurity Green's function approaches. Density functional studies are performed with the…
We study the ground state properties of an ABA-stacked trilayer graphene. The low energy band structure can be described by a combination of both a linear and a quadratic particle-hole symmetric dispersions, reminiscent of monolayer- and…
MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…
This article aims to propose a novel analytical model for anisotropic multi-layer elliptical structures incorporating graphene layers. The multi-layer structure is formed of various magnetic materials. An external magnetic bias has been…
Electronic structures and their Landau quantizations in twisted graphene bilayer and trilayer are investigated using scanning tunnelling microscopy and spectroscopy. In the twisted trilayer, the top graphene layer and second layer are AB…
Few layer graphene systems such as Bernal stacked bilayer and rhombohedral (ABC-) stacked trilayer offer the unique possibility to open an electric field tunable energy gap. To date, this energy gap has been experimentally confirmed in…
Semimetals exhibit intriguing characteristics attributed to the coexistence of both electrons and holes. In rhombohedral multilayer graphene, a strong trigonal warping effect gives rise to a semi-metallic state near the Fermi surface,…
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…
The adsorption of an alkali-metal submonolayer on graphene occupying every third hexagon of the honeycomb lattice in a commensurate $(\sqrt{3}\times\sqrt{3})R30^\circ$ arrangement induces an energy gap in the spectrum of graphene. To…
Technologically useful and robust graphene-based interfaces for devices require the introduction of highly selective, stable, and covalently bonded functionalities on the graphene surface, whilst essentially retaining the electronic…
We describe how the out-of-plane dielectric polarizability of monolayer graphene influences the electrostatics of bilayer graphene -- both Bernal (BLG) and twisted (tBLG). We compare the polarizability value computed using density…
The effect of different stacking order of graphene multilayers on the electric field induced band gap is investigated. We considered a positively charged top and a negatively charged back gate in order to independently tune the band gap and…