Related papers: Interaction between single vacancies in graphene s…
The density functional theory (DFT) is used in a study of point defects on both UN (001) surface and sub-surface layers. We compare results for slabs of different thicknesses (both perfect and containing nitrogen or uranium vacancies) with…
A so-called artificial graphene is an artificial material whose low-energy carriers are described by the massless Dirac equation. Applying a periodic potential with triangular symmetry to a two-dimensional electron gas is one way to make…
We present a theoretical study of indirect exchange interaction between magnetic adatoms in graphene. The coupling between the adatoms to a graphene sheet is described in the framework of tunneling Hamiltonian. We account for the…
Spin transitions driven by a periodically varying electric potential in dilute fluorinated graphene quantum dots are investigated. Flakes of monolayer graphene are considered as well as electrostatic electron traps induced in bilayer…
The local magnetism induced by vacancies in the presence of the spin-orbital interaction is investigated based on the half-filled Kane-Mele-Hubbard model on the honeycomb lattice. Using the self-consistent mean-field theory, we find that…
Magnetic confinement in graphene has been of recent and growing interest because its potential applications in nanotechnology. In particular, the observation of the so called magnetic edge states in graphene has opened the possibility to…
A variational technique is used to study sublattice symmetry breaking by strong on-site and nearest neighbor interactions in graphene. When interactions are strong enough to break sublattice symmetry, and with relative strengths…
The Fe$_{n}$GeTe$_{2}$ systems are newly discovered two-dimensional van-der-Waals materials, exhibiting magnetism at room temperature. The sub-systems belonging to Fe$_{n}$GeTe$_{2}$ class are special because they show site-dependent…
Topological orbital moments can arise in non-coplanar spin structures even in the absence of spin-orbit coupling and a net topological orbital magnetization occurs for the triple-Q state and for isolated skyrmions. For atomic-scale skyrmion…
Graphene corrugations affect hybridization of $\pi$ and $\sigma$ orbitals of carbon atoms in graphene based systems. It can as well break differently the symmetry of the electron transfer integrals for different strip boundaries. Using…
Density functional theory (DFT) exploits an independent-particle-system construction to replicate the densities and current of an interacting system. This construction is used here to access the exact effective potential and bias of…
The Hohenberg-Kohn theorem of density functional theory (DFT) for the case of electrons interacting with an external magnetic field (that couples to spin only) is examined in more detail than previously. A unexpected generalization is…
The magnetic properties of disordered graphene and irradiated graphite are systematically studied using a combination of mean-field Hubbard model and first-principles calculations. By considering large-scale disordered models of graphene, I…
Two channels of the sd exchange interaction are considered in magnetic junctions. The first channel describes the interaction of transversal spins with the lattice magnetization. The second one describes the interaction of longitudinal…
The evolution of electronic structure of graphene nanoribbons (GNRs) as a function of the number of layers stacked together is investigated using \textit{ab initio} density functional theory (DFT) including interlayer van der Waals…
We employ large-scale quantum Monte Carlo simulations to study the magnetic ordering transition among dilute magnetic moments randomly localized on the graphene honeycomb lattice, induced by long-ranged RKKY interactions at low charge…
Ab initio density functional theory (DFT) simulations were used to investigate an influence of electric field, parallel to single and multilayer graphene on its electron dispersion relations close to K point. It was shown that for both…
Interaction between adsorbed atoms in graphene is studied using a combination of DFT and the path integral formalism. Our results reveal a complex non-monotonic interaction profile. We show that the strength and sign of the interaction are…
Motivated by graphene-based quantum computer we examine the time-dependence of the position-momentum and position-velocity uncertainties in the monolayer gapped graphene. The effect of the energy gap to the uncertainties is shown to appear…
Interfacial interactions allow the electronic properties of graphene to be modified, as recently demonstrated by the appearance of satellite Dirac cones in the band structure of graphene on hexagonal boron nitride (hBN) substrates. Ongoing…