相关论文: Magnetism in graphene nano-islands
We investigate quantum transport properties of triangular graphene flakes with zigzag edges by using first principles calculations. Triangular graphene flakes have large magnetic moments which vary with the number of hydrogen atoms…
We study theoretically many-body properties of magic-angle twisted bilayer graphene for different doping levels. Our investigation is focused on the emergence, stability, and manifestations of nematicity of the ordered low-temperature…
Nano-magnetic systems of artificially shaped ferromagnetic islands, recently became a popular subject due to their current and potential applications in spintronics, magneto-photonics and superconductivity. When the island size is close to…
We analyze interaction effects on boundary states of single layer graphene. Near a half filled band, both short and long-ranged interactions lead to a fully spin polarized configuration. In addition, the band of boundary states acquires a…
The electronic structure, bonding and magnetism in graphene containing vacancies are studied using density-functional methods. The single-vacancy graphene ground state is spin polarized and structurally flat. The unpolarized state is non…
First principles calculations are used to establish that the electronic structure of graphene ribbons with zig-zag edges is unstable with respect to magnetic polarisation of the edge states. The magnetic interaction between edge states is…
Nanographite systems, where graphene sheets of the orders of the nanometer size are stacked, show novel magnetic properties, such as, spin-glass like behaviors and the change of ESR line widths in the course of gas adsorptions. We…
We consider the one-orbital $N$-site repulsive Hubbard model on two kagome-like chains, both of which yield a completely dispersionless (flat) one-electron band. Using exact many-electron ground states in the subspaces with $n\le n_{\max}$…
We have studied zigzag and armchair graphene nano ribbons (GNRs), described by the Hubbard Hamiltonian using quantum many body configuration interaction methods. Due to finite termination, we find that the bipartite nature of the graphene…
Electronic and magnetic properties of a system of two charged vacancies in hexagonal shaped graphene quantum dots are investigated using a mean-field Hubbard model as a function of the Coulomb potential strength $\beta$ of the charge…
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.…
Hydrogenated nanographite can display spontaneous magnetism. Recently we proposed that hydrogenation of nanographite is able to induce finite magnetization. We have performed theoretical investigation of a graphene ribbon in which each…
We conduct a theoretical examination of the electronic and magnetic characteristics of end-modified 7-atom wide armchair graphene nanoribbons (AGNRs). Our investigation is performed within the framework of a single-band Hubbard model,…
Predictions state that graphene can spontaneously develop magnetism from the Coulomb repulsion of its $\pi$-electrons, but its experimental verification has been a challenge. Here, we report on the observation and manipulation of individual…
We report on several unusual properties of a graphene antidot created by a piecewise constant potential in a magnetic field. We find that the total probability of finding the electron in the barrier can be nearly one while it is almost zero…
The paper presents a computational study of the ground-state properties of a quantum nanomagnet possessing the shape of a finite two-legged ladder composed of 12 spins $S=1/2$. The system is described with isotropic quantum Heisenberg model…
Graphene is locally two-dimensional but not flat. Nanoscale ripples appear in suspended samples and rolling-up often occurs when boundaries are not fixed. We address this variety of graphene geometries by classifying all ground-state…
The electronic and optical properties of nonuniform bilayer graphene nanoribbons are worth investigating as they exhibit rich magnetic quantization. Based on our numerical results, their electronic and optical properties strongly depend on…
We examine the conditions necessary for the presence of localized magnetic moments on adatoms with inner shell electrons in graphene. We show that the low density of states at the Dirac point, and the anomalous broadening of the adatom…
We investigate magnetic instabilities in charge-neutral twisted bilayer graphene close to so-called "magic angles" using a combination of real-space Hartree-Fock and dynamical mean-field theories. In view of the large size of the unit cell…