Related papers: Magnetism and structure at a vacancy in graphene
Stability and electronic properties of atomic layers of GaN are investigated in the framework of the van der Waals-density functional theory. We find that the ground state of the layered GaN is a planar graphene-like configuration rather…
Theoretical calculations, based on hybrid exchange density functional theory, are used to show that in graphene a periodic array of defects generates a ferromagnetic ground state at room temperature for unexpectedly large defect…
The tunable magnetism at graphene edges with lengths of up to 48 unit cells is analyzed by an exact diagonalization technique. For this we use a generalized interacting one-dimensional model which can be tuned continuously from a limit…
We study the magnetic properties of nanometer-sized graphene structures with triangular and hexagonal shapes terminated by zig-zag edges. We discuss how the shape of the island, the imbalance in the number of atoms belonging to the two…
The observation of intrinsic magnetic order in graphene and graphene-based materials relies on the formation of magnetic moments and a sufficiently strong mutual interaction. Vacancies are arguably considered the primary source of magnetic…
We present a study of different models of local disorder in graphene. Our focus is on the main effects that vacancies -- random, compensated and uncompensated --, local impurities and substitutional impurities bring into the electronic…
Imprinting magnetism into graphene makes an important step to its applications in spintronics. An actively explored approach is proximity coupling of graphene to a 2D magnet. In these endeavors, the use of epitaxial graphene may bring…
The zero energy modes induced by vacancies in ABC stacked trilayer graphene are investigated. Depending on the position of the vacancy, a new zero energy solution is realised, different from those obtained in multilayer compounds with…
We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d transition metal, noble metal and Zn atoms interacting with carbon monovacancies in graphene. We pay special…
The electron-phonon interaction in monolayer graphene is investigated by using density functional perturbation theory. The results indicate that the electron-phonon interaction strength is of comparable magnitude for all four in-plane…
We analyze the energy band structure of a two-dimensional electron gas in a periodic magnetic field of a longitudinal antiferromagnet by considering a simple exactly solvable model. Two types of states appear: with a finite and…
The magnetism by the edge states in graphene is investigated theoretically. An instability of the pseudo-spin order of the edge states induces ferrimagnetic order in the presence of the Coulomb interaction. Although the next…
We study the electronic structure of multilayer graphene using a $\pi$-orbital continuum model with nearest-neighbor intralayer and interlayer tunneling. Using degenerate state perturbation theory, we show that the low-energy electronic…
Graphene, the one-atom-thick sp2 hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applications in diverse high tech fields. Many of these applications…
This brief review discusses electronic properties of mesoscopic graphene-based structures. These allow controlling the confinement and transport of charge and spin; thus, they are of interest not only for fundamental research, but also for…
We investigate the electronic confinement in bilayer graphene by topological loops of different shapes. These loops are created by lateral gates acting via gap inversion on the two graphene sheets. For large-area loops the spectrum is well…
We describe the effects of vacancies on the electronic properties of a graphene sheet in the presence of a perpendicular magnetic field: from a single defect to an organized vacancy lattice. An isolated vacancy is the minimal possible inner…
Using ab initio methods based on density functional theory, the electronic and magnetic structure of layered hexagonal NbSe$_{2}$ is studied. In the case of single-layer NbSe$_{2}$ it is found that, for all the functionals considered, the…
We analyze, within a minimal model that allows analytical calculations, the electronic structure and Landau levels of graphene multi-layers with different stacking orders. We find, among other results, that electrostatic effects can induce…
While graphene is a semi-metal, a recently synthesized hydrogenated graphene called graphane, is an insulator. We have probed the transformation of graphene upon hydrogenation to graphane within the framework of density functional theory.…