相关论文: Structure and energetics of embedded Si patterns i…

Using nanoparticles to impart extrinsic rippling in graphene is a relatively new method to induce strain and to tailor the properties of graphene. Here we study the structure and elastic properties of graphene grown by chemical vapour…

Graphene on $L1_0$-FePd(001), which has been experimentally studied in recent years, is a heterogeneous interface with a significant lattice symmetry mismatch between the honeycomb structure of graphene and tetragonal alloy surface. In this…

We performed calculations of electronic, optical and transport properties of graphene on hBN with realistic moir\'e patterns. The latter are produced by structural relaxation using a fully atomistic model. This relaxation turns out to be…

The interplay between topological defects, such as dislocations or disclinations, and the electronic degrees of freedom in graphene has been extensively studied. In the literature, for the study of this kind of problems, it is in general…

We report experimentally and theoretically the behavior of freestanding graphene subject to bombardment of energetic ions, investigating the ability of large-scale patterning of freestanding graphene with nanometer sized features by focused…

So far the physics of moir\'e graphene bilayers at large, incommensurate rotation angles has been considered uninteresting. It has been held that the interlayer coupling in such structures is weak and the system can be thought of as a pair…

Graphene on silicon carbide (SiC) bears great potential for future graphene electronic applications because it is available on the wafer-scale and its properties can be custom-tailored by inserting various atoms into the graphene/SiC…

The coupling of geometrical and electronic properties is a promising venue to engineer conduction properties in graphene. Confinement added to strain allows for interplay of different transport mechanisms with potential device applications.…

The electronic structure in the vicinity of the 1-heptagonal and 1-pentagonal defects in the carbon graphene plane is investigated. Using a continuum gauge field-theory model the local density of states around the Fermi energy is calculated…

In this paper, we study the morphologic interaction between graphene and Si nanowires on a SiO2 substrate, using molecular mechanics simulations. Two cases are considered: 1) a graphene nanoribbon intercalated by a single Si nanowire on a…

In the last few years, the fascinating properties of graphene have been thoroughly investigated. The existence of Dirac cones is the most important characteristic of the electronic band-structure of graphene. In this theoretical paper,…

Energetic and geometric aspects of the permeation of low-Z atoms through graphene sheets are investigated. Energy barriers and deformations are calculated via density functional theory for the permeation of H, He, Li and Be atoms at several…

The structural properties of packed soft-core particles provide a platform to understand the cross-pollinated physical concepts in solid-state- and soft-matter physics. Confined on spherical surface, the traditional differential geometry…

Electrons in graphene are theoretically expected to retain spin states much longer than most materials, making graphene a promising platform for spintronics and quantum information technologies. Here, we use first-principles density-matrix…

The buffer carbon layer obtained in the first instance by evaporation of Si from the Si-rich surfaces of silicon carbide (SiC) is often studied only as the intermediate to the synthesis of SiC supported graphene. In this work, we explore…

Graphene, the two-dimensional form of carbon presents outstanding electronic and transport properties. This gives hope for the development of applications in nanoelectronics. However, for industrial purpose, graphene has to be supported by…

Intercalation has proven to be a powerful tool for tailoring the electronic properties of freestanding graphene layers as well as for stabilizing the intercalated material in a two-dimensional configuration. This work examines Si…

Using first principles, classical potentials, and elasticity theory, we investigated the structure of a semiconductor/semiconductor interface with a high lattice mismatch, SiC/Si(001). Among several tested possible configurations, a…

Adopting a purely two dimensional relativistic equation for graphene's carriers contradicts the Heisenberg uncertainty principle since it requires setting off-the-surface coordinate of a three-dimensional wavefunction to zero. Here we…

We present an investigation of the atomic and electronic structure of graphene monolayer islands on the 6H-SiC(000-1)(3x3) (SiC(3x3)) surface reconstruction using scanning tunneling microscopy (STM) and spectroscopy (STS). The orientation…