Related papers: Interaction between single vacancies in graphene s…
We investigate the mobility of structural defects, adatoms, and defect-adatom combinations in self-supporting graphene subjected to keV ion irradiation. In the first scenario, homogeneous irradiation using 20 keV Ar$^+$ ions at a dose of $3…
Graphene nanoflakes are interesting because electrons are naturally confined in these quasi-zero-dimensional structures, whereas confinement in bulk graphene would require a band gap. Vacancies inside the graphene lattice lead to localized…
Atomic collapse can be observed in graphene because of its large "effective" fine structure constant, which enables this phenomenon to occur for an impurity charge as low as $Z_c\sim 1-2$. Here, we investigate the effect of the sublattice…
Vacancies in graphene present sites of altered chemical reactivity and open possibilities to tune graphene properties by defect engineering. The understanding of chemical reactivity of such defects is essential for successful implementation…
This paper reviews the theoretical work undertaken using density functional theory (DFT) to explore graphene's interactions with its surroundings. We look at the impact of substrates, gate dielectrics and edge effects on the properties of…
Each single hydrogen vacancy created at the surface of graphane gives rise to a local unpaired spin. For domains of hydrogen vacancies the situation is, however complex and depends on the size and geometry of domains, as well as whether the…
We study the local moment formation and the Kondo effect at single-atom vacancies in Graphene. We develop a model accounting for the vacancy reconstruction as well as non-planarity effects induced by strain and/or temperature. Thus, we find…
An approach is proposed for evaluating dipolar and multipolar inter-site interactions in strongly correlated materials. This approach is based on the single-site dynamical mean-field theory (DMFT) in conjunction with the atomic…
Folded single layer graphene forms a system of two decoupled monolayers being only a few Angstroms apart. Using magnetotransport measurements we investigate the electronic properties of the two layers conducting in parallel. We show a…
The proximity-induced couplings in graphene due to the vicinity of a ferromagnetic insulator are analyzed. We combine general symmetry principles and simple tight-binding descriptions to consider different orientations of the magnetization.…
The interplay between different types of disorder and electron-electron interactions in graphene planes is studied by means of Renormalization Group techniques. The low temperature properties of the system are determined by fixed points…
Vacancies in graphene lead to the appearance of localized electronic states with non-vanishing spin moments. Using a mean-field Hubbard model and an effective double-quantum dot description we investigate the influence of strain on…
We have carried out ab initio electronic structure calculations on graphane (hydrogenated graphene) with single and double vacancy defects. Our analysis of the density of states reveal that such vacancies induce the mid gap states and…
We present an ab initio study on the structural and electronic distortions of modified graphene by creation of vacancies, inclusion of boron atoms, and the coexistence of both, by means of thermodynamics and band structure calculations. In…
We show within a local self-consistent mean-field treatment that a random distribution of magnetic adatoms can open a robust gap in the electronic spectrum of graphene. The electronic gap results from the interplay between the nature of the…
We study RKKY interactions between local magnetic moments for both doped and undoped graphene. We find in both cases that the interactions are primarily ferromagnetic for moments on the same sublattice, and antiferromagnetic for moments on…
The magnetization distribution, its energetic characterization by the interlayer coupling constants and lattice dynamics of (001)-oriented Fe/Pt multilayers are investigated using density functional theory combined with the direct method to…
We reveal that the origin of ferromagnetism caused by $sp$ electrons in graphene with vacancies can be traced to electrons partially filling $sp^{2*}$-antibonding and $p_z^*$-nonbonding states, which are induced by the vacancies and appear…
We calculate the electronic structure and magnetic properties of hydrogenated graphite surfaces using van der Waals density functional theory (DFT) and model Hamiltonians. We find, as previously reported, that the interaction between…
The growing interest in carbon-based spintronics has stimulated a number of recent theoretical studies on the RKKY interaction in graphene, based on which the energetically favourable alignment between magnetic moments embedded in this…