相关论文: Graphene on Insulating Oxide Substrates: Role of S…

We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…

We explore the electronic ground states of Bernal-stacked multilayer graphenes using the Hartree-Fock mean-field approximation and the full-parameter band model. We find that the electron-electron interaction tends to open a band gap in…

With first-principles DFT calculations, the interaction between graphene and SiO2 surface has been analyzed by constructing the different configurations based on {\alpha}-quartz and cristobalite structures. The single layer graphene can…

Understanding the coupling of graphene with its local environment is critical to be able to integrate it in tomorrow's electronic devices. Here we show how the presence of a metallic substrate affects the properties of an atomically…

Hydrogenation of graphene on the \alpha-quartz (0001) SiO_2 substrate is studied, considering different surface terminations in order to take into account the amorphic nature of the material. Our ab initio calculations show that the…

Employing density-functional calculations we study single and double graphene layers on Si- and C-terminated 1x1-6H-SiC surfaces. We show that, in contrast to earlier assumptions, the first carbon layer is covalently bonded to the…

The effect of the SiO$_2$ substrate on a graphene film is investigated using realistic but computationally convenient energy-optimized models of the substrate supporting a layer of graphene. The electronic bands are calculated using…

This paper reviews the theoretical work undertaken using density functional theory (DFT) to explore graphene's interactions with its surroundings. We look at the impact of substrates, gate dielectrics and edge effects on the properties of…

Graphene epoxide, with oxygen atoms lining up on pristine graphene sheets, is investigated theoretically in this Letter. Two distinct phases: metastable clamped and unzipped structures are unveiled in consistence with experiments. In the…

We study the orbital effect of a strong magnetic field parallel to the layers on the energy spectrum of the Bernal-stacked graphene bilayer and multilayers, including graphite. We consider the minimal model with the electron tunneling…

Multi-layer graphene on the carbon face of silicon carbide is an intriguing electronic system which typically consists of a stack of ten or more layers. Rotational stacking faults in this system dramatically reduce inter-layer coherence. In…

One- and two-layer graphene have recently been shown to feature new physical phenomena such as unconventional quantum Hall effects and prospects of supporting a non-silicon technological platform using epitaxial graphene. While both one-…

It was recently discovered that a conductive, metallic state is formed on the surface of some insulating oxides. Firstly observed on SrTiO$_3$(001), it was then found in other compounds as diverse as anatase TiO$_2$, KTaO$_3$, BaTiO$_3$,…

We investigate gated multilayer graphene with stacking order change along the armchair direction. We consider some layers cracked to release shear strain at the stacking domain wall. The energy cones of graphene overlap along the…

We analyze, within a minimal model that allows analytical calculations, the electronic structure and Landau levels of graphene multi-layers with different stacking orders. We find, among other results, that electrostatic effects can induce…

Close to charge neutrality, the low-energy properties of high-quality suspended devices based on atomically thin graphene layers are determined by electron-electron interactions. Bernal-stacked layers, in particular, have shown a remarkable…

Density functional theory has been employed to study graphene on the (111), (100) and (110) surfaces of silicon (Si) substrates. There are several interesting findings. First, carbon atoms in graphene form covalent bonds with Si atoms, when…

We study the effects of polarizable substrates such as SiO2 and SiC on the carrier dynamics in graphene. We find that the quasiparticle spectrum acquires a finite broadening due to the long-range interaction with the polar modes at the…

Patterned graphene shows substantial potential for applications in future molecular-scale integrated electronics. Environmental effects are a critical issue in a single layer material where every atom is on the surface. Especially…

The reflectivity of low energy electrons from graphene on copper substrates is studied both experimentally and theoretically. Well-known oscillations in the reflectivity of electrons with energies 0 - 8 eV above the vacuum level are…