相关论文: The COMPASS force field: validation for carbon nan…
The purity of graphene samples is of crucial importance for their experimental and practical use. In this regard, the detection of the defects is of direct relevance. Here, we show that structural defects in graphene samples give rise to…
Detecting conductance quantization in graphene nanostructures turned out more challenging than expected. The observation of well-defined conductance plateaus through graphene nanoconstrictions so far has only been accessible in the highest…
The recently found material graphene is a truly two-dimensional crystal and exhibits, in addition, an extreme mechanical strength. This in combination with the high electron mobility favours graphene for electromechanical investigations…
A number of interesting properties of graphene and graphite are postulated to derive from the peculiar bandstructure of graphene. This bandstructure consists of conical electron and hole pockets that meet at a single point in momentum (k)…
Electron-plasmon coupling in graphene has recently been shown to give rise to a "plasmaron" quasiparticle excitation. The strength of this coupling has been predicted to depend on the effective screening, which in turn is expected to depend…
Temperature constraints are highly desirable in the experimental setup when seeking the synthesis of new carbon structures. Fluctuations of the Dirac field result in temperature-dependent corrections to the Helfrich-Canham formulation,…
Recent experiments reveal that a scanning tunneling microscopy (STM) probe tip can generate a highly localized strain field in a graphene drumhead, which in turn leads to pseudomagnetic fields in the graphene that can spatially confine…
Carbon-based magnetic structures promise significantly longer coherence times than traditional magnetic materials, which is of fundamental importance for spintronic applications. An elegant way of achieving carbon-based magnetic moments is…
This study of elastic and plastic deformation of graphene, silicene, and boron nitride (BN) honeycomb nanoribbons under uniaxial tension determines their elastic constants and reveals interesting features. In the course of stretching in the…
We used a complete tight-binding band structure of graphene nanoribbon to obtain, for the first time, analytical techniques for observing photon assisted transport, and dynamic localization of electrons in the graphene nanoribbons. When the…
The strain induced pseudo-magnetic field in supported graphene deposited on top of a nanostructured substrate is investigated by using atomistic simulations. Step, elongated trench, one dimensional barrier, spherical bubbles, Gaussian bump…
The thermoelectric properties of in plane heterostructures made of Graphene and hexagonal Boron Nitride (BN) have been investigated by means of atomistic simulation. The heterostructures consist in armchair graphene nanoribbons to the sides…
We study the electronic correlation effects in armchair graphene nanoribbons that have been recently proposed to be the building blocks of spin qubits. The armchair edges give rise to peculiar quantum interferences and lead to quenched…
Gallium nitride nanowire and nanorod substrates with different morphology are prospective platforms allowing to control the local strain distribution in graphene films top of them, resulting in an induction of pseudomagnetic fields. Atomic…
The difficulty in determining the mass of a sample increases as its size diminishes. At the nanoscale, there are no direct methods for resolving the mass of single molecules or nanoparticles and so more sophisticated approaches based on…
The deformation and disintegration of a graphene nanoribbon under external electrostatic fields are investigated by first principle quantum mechanical calculations to establish its stability range. The zigzag edges terminated by various…
Graphene is a truly two-dimensional atomic crystal with exceptional electronic and mechanical properties. Whereas conventional bulk and thin-film materials have been studied extensively, the key mechanical properties of graphene, such as…
We present a simple torsional potential for graphene to accurately describe its out-of-plane deformations. The parameters of the potential are derived through appropriate fitting with suitable DFT calculations regarding the deformation…
When the phonon spectrum of a material is measured in a scattering experiment, selection rules preclude the observation of phonons that are odd under reflection by the scattering plane. Understanding these rules is crucial to correctly…
We review calculations and measurements of the phonon-dispersion relation of graphite. First-principles calculations using density-functional theory are generally in good agreement with the experimental data since the long-range character…