相关论文: Vibrational properties of nanographene

We discuss the electronic properties of graphene and graphene nanoribbons including "pseudo-Rashba" spin-orbit coupling. After summarizing the bulk properties, we first analyze the scattering behavior close to an infinite mass and zigzag…

We report on the fabrication and operation of a multi-element vibrational structure consisting of two graphene mechanical resonators coupled by a nanotube beam. The whole structure is suspended. Each graphene resonator is clamped by two…

Theoretical progress in graphene physics has largely relied on the application of a simple nearest-neighbor tight-binding model capable of predicting many of the electronic properties of this material. However, important features that…

Low dimensional carbon-based materials are interesting because they can show intrinsic $\pi$-magnetism associated to p-electrons residing in specific open-shell configurations. Consequently, during the last years there have been impressive…

Bond stretching and angle bending force fields, appropriate to describe in-plane motion of graphene sheets, are derived using first principles' methods. The obtained force fields are fitted by analytical anharmonic energy potential…

The electronic states occurring in a double vacancy defect for graphene nanoribbons have been calculated in detail based on a pyrene model. Extended ab initio calculations using the MR configuration interaction (MRCI) method have been…

We report measurements of vibrational mode shapes of mechanical resonators made from ultrathin carbon nanomembranes (CNMs) with a thickness of approximately 1 nm. CNMs are prepared from electron irradiation induced cross-linking of aromatic…

Graphene nanowiggles (GNW) are graphene-based nanostructures obtained by making alternated regular cuts in pristine graphene nanoribbons. GNW were recently synthesized and it was demonstrated that they exhibit tunable electronic and…

We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.…

Density functional theory calculations are used to investigate the electronic structures of localized states at reconstructed armchair graphene edges. We consider graphene nanoribbons with two different edge types and obtain the energy band…

We investigate the low-lying excitation spectrum and ground-state properties of narrow graphene nanoribbons with zigzag edge configurations. Nanoribbons of comparable widths have been synthesized very recently [P. Ruffieux, \emph{et al.}…

This article reviews the basic theoretical aspects of graphene, a one atom thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations. The Dirac electrons can be controlled by application of external electric…

The density of electron-hole pairs produced in a graphene sample immersed in a homogeneous time-dependent electrical field is evaluated. Because low energy charge carriers in graphene are described by relativistic quantum mechanics, the…

We investigate the electromechanical response of doubly clamped graphene nanoribbons to a transverse gate voltage. An analytical model is developed to predict the field-induced deformation of graphene nanoribbons as a function of field…

This paper presents electronic spectra of zigzag and armchair graphene nanoribbons calculated within the tight-binding model for pi-electrons. Zigzag and armchair nanoribbons of different edge geometries are considered, with surface…

The quantum behavior of electrons in bilayer graphene with applied magnetic fields is addressed. By using second-order supersymmetric quantum mechanics the problem is transformed into two intertwined one dimensional stationary Schr\"odinger…

We present here a Hofstadter's butterfly spectrum for the magic angle twisted bilayer graphene obtained using an ab initio based multi-million atom tight-binding model. We incorporate a hexagonal boron nitride substrate and out-of-plane…

Nanostructures exhibit unusual properties due to the dominance of quantum mechanical effects. In addition, the geometry of a nanostructure can have a strong influence on its physical properties. Using the tight-binding (TB) and…

Encapsulating graphene in hexagonal Boron Nitride has several advantages: the highest mobilities reported to date are achieved in this way, and precise nanostructuring of graphene becomes feasible through the protective hBN layers.…

We study vibrational states localized at the edges of graphene nanoribbons. Such surface oscillations can be considered as a phonon analog of Tamm states well known in the electronic theory. We consider both armchair and zigzag graphene…