相关论文: Transport properties of 2D graphene containing str…

Electronic carriers in graphene show a high carrier mobility at room temperature. Thus, this system is widely viewed as a potential future charge-based high-speed electronic-material to complement- or replace- silicon. At the same time, the…

The advances in the growth techniques provide numerous scope to explore the possibilities of new 2D materials for potential applications. With the aid of first-principle calculations we show that 2D Na can be a new addition to the family of…

Two-dimensional (2D) materials such as graphene offer a variety of outstanding properties for a wide range of applications. Their transport properties in particular present a rich field of study. However, the studies of transport properties…

We perform a MonteCarlo simulation in order to study the connection between the morphology and the transport properties of grain boundaries (GBs) in graphene. We explore the configurational space of GBs to generate ensembles of realistic…

Within the framework of stochastic reactive molecular dynamics simulations we develop a statistical method for generating fluorinated graphene structures with desirable fluorine distribution. Electronic transport properties of fluorinated…

The two-dimensional nature of graphene makes it an ideal platform to explore proximity-induced unconventional planar superconductivity and the possibility of topological superconductivity. Using Green's functions techniques, we study the…

We study the properties of localized vibrational modes associated with structural defects in a sheet of graphene. For the example of the Stone-Wales defects, one- and two-atom vacancies, many-atom linear vacancies, and adatoms in a…

Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and few-layer configurations of graphene have been realized and…

The transport properties of a bilayer graphene are studied theoretically within a self-consistent Born approximation. The electronic spectrum is composed of $k$-linear dispersion in the low-energy region and $k$-square dispersion as in an…

We present a formal derivation of a drift-diffusion model for stationary electron transport in graphene, in presence of sharp potential profiles, such as barriers and steps. Assuming the electric potential to have steep variations within a…

We theoretically study the electronic and transport properties of two graphene layers vertically coupled by an insulating layer under the influence of a time-periodic external light field. The non-adiabatic driving induces excitations of…

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…

Graphene, a 2-dimensional monolayer form of sp2 hybridizated carbon atoms, is attracting increasing attention due to its unique and superior physicochemical properties. Covalently functionalized graphene layers, with their modifiable…

Electrical and thermal transport across material interfaces is key for 2D electronics in semiconductor technology, yet their relationship remains largely unknown. We report a theoretical proposal to separate electronic and phononic…

In this paper we describe a spatial decomposition of the thermal conductivity, what we name "site-projected thermal conductivity", a gauge of the thermal conduction activity at each site. The method is based on the Green-Kubo formula and…

While crystalline two-dimensional materials have become an experimental reality during the past few years, an amorphous 2-D material has not been reported before. Here, using electron irradiation we create an sp2-hybridized one-atom-thick…

We theoretically investigate the electronic transport properties of curved graphene waveguides by employing non-equilibrium Green's function techniques. We systematically study the dependence of the confined waveguide modes on the potential…

We consider lattice deformations (both continuous and topological) in the hexagonal lattice Hubbard model in the tight binding approximation to graphene, involving operators with the range up to next-to-neighbor. In the low energy limit, we…

Designing new 2D systems with tunable properties is an important subject for science and technology. Starting from graphene, we developed an algorithm to systematically generate 2D carbon crystals belonging to the family of graphdiynes…

We implement, optimize, and validate the linear-scaling Kubo-Greenwood quantum transport simulation on graphics processing units by examining resonant scattering in graphene. We consider two practical representations of the Kubo-Greenwood…