相关论文: First-principles investigation of bilayer fluorogr…

We consider bilayer graphene in the presence of spin orbit coupling, to assess its behavior as a topological insulator. The first Chern number $n$ for the energy bands of single and bilayer graphene is computed and compared. It is shown…

We investigate the contribution of the low-energy electronic excitations towards the Raman spectrum of bilayer graphene for the incoming photon energy Omega >> 1eV. Starting with the four-band tight-binding model, we derive an effective…

The relativistic-like behavior of electrons in graphene significantly influences the interaction properties of these electrons in a quantizing magnetic field, resulting in more stable fractional quantum Hall effect states as compared to…

We describe an infrared transmission study of a thin layer of bulk graphite in magnetic fields up to B = 34 T. Two series of absorption lines whose energy scales as sqrtB and B are present in the spectra and identified as contributions of…

We present exemplary results of extensive studies of mechanical, electronic and transport properties of covalent functionalization of graphene monolayers (GML) with -NH2. We report new results of ab initio studies of covalent…

We present a theoretical study of the electronic structure of magnetically modulated graphene. We consider monolayer graphene in the presence of a perpendicular magnetic field and a unidirectional weak magnetic modulation. The density of…

We study ballistic transport in periodically gated bilayer graphene as a candidate for a 2D electronic metamaterial. Our calculations use the equilibrium Green function formalism and take into account quantum corrections to charge density…

In this paper, a real-space analytical expression for the free Green's function (propagator) of bilayer graphene is derived based on the effective-mass approximation. Green's function displays highly spatial anisotropy with three-fold…

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.…

In this letter we study the electronic structures and optical properties of partially and fully fluorinated graphene by a combination of abinitio G0W0 calculations and large-scale multi-orbital tight-binding simulations. We find that for…

The tight-binding model of electrons in graphene is reviewed. We derive low-energy Hamiltonians supporting massless Dirac-like chiral fermions and massive chiral fermions in monolayer and bilayer graphene, respectively, and we describe how…

Band structure determines the motion of electrons in a solid, giving rise to exotic phenomena when properly engineered. Drawing an analogy between electrons and photons, artificially designed optical lattices indicate the possibility of a…

We study the effect of vertical electric field (E-field) on the electronic properties of multilayer graphene. We show that the effective mass, electron velocity and density-of-state of a bilayer graphene are modified under the E-field. We…

Moir\'e systems featuring flat electronic bands exhibit a vast landscape of emergent exotic quantum states, making them one of the resourceful platforms in condensed matter physics in recent times. Tuning these systems via twist angle and…

We analyze the spectroscopic features of bilayer graphene determined by the formation of pairs of low-energy and split bands in this material. We show that the inter-Landau-level absorption spectrum in bilayer graphene at high magnetic…

Two monolayers of graphene twisted by a small `magic' angle exhibit nearly flat bands leading to correlated electronic states and superconductivity, whose precise nature including possible broken symmetries, remain under debate. Here we…

We theoretically investigate the electronic structures of moir\'{e} superlattices arising in monolayer / bilayer graphene stacked on hexagonal boron nitride (hBN) in presence and absence of magnetic field. We develop an effective continuum…

Graphene nanoribbons present diverse electronic properties ranging from semiconducting to half-metallic, depending on their geometry, dimensions and chemical composition. Here we present a route to control these properties via externally…

Moire materials exhibit diverse quantum properties such as superconductivity and correlated topo logical phases, making them ideal for studying strongly correlated systems. While moire materials are typically formed by stacking…

Two dimensional materials are important for electronics applications. A natural way for electronic structure engineering on two dimensional systems is on-plane chemical functionalization. Based on density functional theory, we study the…