相关论文: Mass inversion at the Lifshitz transition in monol…
We have performed a density functional study of graphene adsorbed on Au(111) surface using both a local density approximation and a semiempirical van der Waals approach proposed by Grimme, known as the DFT-D2 method. Graphene physisorbed on…
Atomic-scale fabrication is an outstanding challenge and overarching goal for the nanoscience community. The practical implementation of moving and fixing atoms to a structure is non-trivial considering that one must spatially address the…
Doped semiconductors are a central and crucial component of all integrated circuits. By using a combination of white light and a focused laser beam, and exploiting hBN defect states, heterostructures of hBN/Graphene/hBN are photodoped…
Graphene -a recently discovered one-atom-thick layer of graphite- constitutes a new model system in condensed matter physics, because it is the first material in which charge carriers behave as massless chiral relativistic particles. The…
The electrical, magnetic, thermal and optical characteristics of Gallium (Ga) doped silicene are investigated using density functional theory (DFT). The effect of doping is studied by tuning dopant concentrations as well as examining varied…
Doping is one of the most prominent techniques to alter properties of a given material. Herein, the influence of the electron- and hole-doping on the selected superconducting properties of graphene are considered. In details, the…
At high magnetic fields, monolayer graphene hosts competing phases distinguished by their breaking of the approximate SU(4) isospin symmetry. Recent experiments have observed an even denominator fractional quantum Hall state thought to be…
We demonstrate electrochemical top gating of graphene by using a solid polymer electrolyte. This allows to reach much higher electron and hole doping than standard back gating. In-situ Raman measurements monitor the doping. The G peak…
Ab-initio calculations have been performed to study the geometry and electronic structure of boron (B) and nitrogen (N) doped graphene sheet. The effect of doping has been investigated by varying the concentrations of dopants from 2 % (one…
We study the effects of metallic doping on the electronic properties of graphene using density functional theory in the local density approximation in the presence of a local charging energy (LDA+U). The electronic properties are sensitive…
We report on Hybrid-Monte-Carlo simulations at finite spin density of the $\pi$-band electrons in monolayer graphene with realistic inter-electron interactions. Unlike simulations at finite charge-carrier density, these are not affected by…
The temperature dependence of electric transport properties of single-layer and few-layer graphene at large charge doping is of great interest both for the study of the scattering processes dominating the conductivity at different…
Understanding spin physics in graphene is crucial for developing future two-dimensional spintronic devices. Recent studies show that efficient spin-to-charge conversions via either the inverse spin Hall effect or the inverse…
Despite the highly porous nature with significantly large surface area, metal organic frameworks (MOFs) can be hardly used in electronic, and optoelectronic devices due to their extremely poor electrical conductivity. Therefore, the study…
Measuring the transport of electrons through a graphene sheet necessarily involves contacting it with metal electrodes. We study the adsorption of graphene on metal substrates using first-principles calculations at the level of density…
Not only the apparent atomic arrangement but the charge distribution also defines the crystalline symmetry that dictates the electronic and vibrational structures. In this work, we report reversible and direction-controlled chemical doping…
The electronic structure, specific heat, and thermal conductivity of silicon embedded in a monolayer graphene nanosheet are studied using Density Functional Theory. Two different shapes of the substitutional Si doping in the graphene are…
Thin films provide a versatile platform to tune electron correlations and explore new physics in strongly correlated materials. Epitaxially grown thin films of the alkali-doped fulleride K$_{3+x}$C$_{60}$, for example, exhibit %various…
Two-dimensional (2D) materials, composed of single atomic layers, have attracted vast research interest since the breakthrough discovery of graphene. One major benefit of such systems is the simple ability to tune the chemical potential by…
We demonstrate that charge density wave (CDW) phase transition occurs on the surface of electronically doped multilayer graphene when the Fermi level approaches the M points (also known as van Hove singularities where the density of states…