Related papers: Multiple spin state analysis applied to graphite-l…
A suspended layer made up of ferromagnetically ordered spins could be created between two mono/multilayer graphene through intercalation. Stability and electronic structure studies show that, when fluorine molecules are intercalated between…
The relative stability among the multiple spin density wave (MSDW) states in fcc transition metals has been investigated on the basis of a Ginzburg-Landau type of free energy with terms up to the fourth order in magnetic moments. Obtained…
Catalyst-free vertically aligned graphene nanoflakes possessing a large amount of high density edge planes were functionalized using nitrogen species in a low energy N+ ion bombardment process to achieve pyridinic, cyanide and nitrogen…
The magnetic properties of carbon materials are at present the focus of an intense research effort in physics, chemistry and materials science due to their potential applications in spintronics and quantum computations. Although the…
The spin structure of a Mn triple layer grown pseudomorphically on surfaces is studied using spin-polarized scanning tunneling microscopy (SP-STM) and density functional theory (DFT). In SP-STM images a c$(4 \times 2)$ super structure is…
We characterize the transport properties of functionalized graphene nanoribbons using extensive first-principles calculations based on density functional theory (DFT) that encompass both monovalent and divalent ligands, hydrogenated defects…
Performing an exact diagonalization of the effective spin problem, a ferromagnetic ground state of kinetic origin is shown to emerge in a system of $N$ strongly correlated electrons on a $L$-site ring ($L > N$). This phenomenon is brought…
We study the quantum many-body ground states of electrons on the half-filled honeycomb lattice with short- and long-ranged density-density interactions as a model for graphene. To this end, we employ the recently developed truncated-unity…
We unravel the dynamical stability of a fully polarized one-dimensional ultracold few-fermion spin-1/2 gas subjected to inhomogeneous driving of the itinerant spins. Despite the unstable character of the total spin-polarization the…
Orbital magnetism is studied for graphene flakes with various shapes and edge configurations using the tight-binding approximation. In the low-temperature regime where the thermal energy is much smaller than to the energy level spacing, the…
Assuming that the nuclear magnetic resonance (NMR) signal from a $^{13}$C isotope enriched layer of graphene can be made sufficiently intense to be measured, we compute the NMR\ lineshape of the different crystals ground states that are…
We investigate from first principles a variety of low-dimensional open quantum spin systems based on magnetic nanographene structures that contain spin-1/2 and spin-1 triangulenes and/or olympicenes. These graphene nanostructures behave as…
There have recently been various reports of weak ferromagnetism in graphite (1,2) and synthetic carbon materials (3) such as rhombohedral C60 (4), as well as a theoretical prediction of a ferromagnetic instability in graphene sheets (5).…
Graphene nanoribbons are the counterpart of carbon nanotubes in graphene-based nanoelectronics. We investigate the electronic properties of chemically modified ribbons by means of density functional theory. We observe that chemical…
In the framework of density functional theory (DFT), the structural and magnetic properties of FeN mono nitride have been investigated using the all electrons augmented spherical wave method (ASW) with a generalized gradient GGA functional…
The production of multiple types of graphene, such as free standing, epitaxial graphene on silicon carbide and metals, graphene in solution, chemically grown graphene-like molecules, various graphene nanoribbons, and graphene oxide with…
We have investigated the magnetism of the bare and graphene-covered (111) surface of a Ni single crystal employing three different magnetic imaging techniques and ab initio calculations, covering length scales from the nanometer regime up…
We study the influence of different edge types on the electronic density of states of graphene nanostructures. To this end we develop an exact expansion for the single particle Green's function of ballistic graphene structures in terms of…
Using first-principles calculations, we explore the possibility of functionalized graphene as high performance two-dimensional spintronics device. Graphene functionalized with O on one side and H on the other side in the chair conformation…
We present density functional theory calculations of the binding energies of one, two and three fluorine adatoms on the same side of monolayer graphene. We show that fluorine dimers on graphene in a spin-singlet state are stable against…