Related papers: Gate-Tunable Exchange Coupling Between Cobalt Clus…
We investigate the electronic and magnetic properties of graphene channels ($2$--$4$~nm wide) embedded within fluorographene, focusing on two distinct interfaces: the fully fluorinated $\alpha$ interface and the half-fluorinated $\beta$…
We derive an approximate expression for the Gilbert damping coefficient \alpha_G of itinerant electron ferromagnets which is based on their description in terms of spin-density-functional-theory (SDFT) and Kohn-Sham quasiparticle orbitals.…
We reconsider magnetic properties of fcc and hcp cobalt within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase. Using recently proposed approach of calculation of exchange…
Improving the accuracy and thus broadening the applicability of electronic density functional theory (DFT) is crucial to many research areas, from material science, to theoretical chemistry, biophysics and biochemistry. In the last three…
We study theoretically the properties of buckled graphene-like materials, such as silicene and germanene, in a strong perpendicular magnetic field and a periodic potential. We analyze how the spin-orbit interaction and the perpendicular…
The strong-coupling perturbation theory (SCPT) for correlated electron systems is extended to the case of full Coulomb interaction. The Coulomb mechanism of the orbital polarization is discussed and attention is paid to the importance of…
The effective interaction between resonant magnetic Anderson impurities in graphene, mediated by conduction electrons, is studied as a function of the strength of the onsite energy level of the impurities and the amplitude of coupling to…
We demonstrate with a fully quantum-mechanical approach that graphene can function as gate-controllable transistors for pumped spin currents, i.e., a stream of angular momentum induced by the precession of adjacent magnetizations, which…
This paper provides an overview on graphene solution-gated field effect transistors (SGFETs) and their applications in bioelectronics. The fabrication and characterization of arrays of graphene SGFETs is presented and discussed with respect…
Graphene is an attractive electrode material to contact nanostructures down to the molecular scale since it can be gated electrostatically. Gating can be used to control the doping and the energy level alignment in the nanojunction, thereby…
We study the spin-crossover molecule Fe(phen)$_2$(NCS)$_2$ using density functional theory (DFT) plus dynamical mean-field theory, which allows access to observables not attainable with traditional quantum chemical or electronic structure…
We analyze the effect of screening provided by the additional graphene layer in double layer graphene heterostructures (DLGs) on transport characteristics of DLG devices in the metallic regime. The effect of gate-tunable charge density in…
We experimentally demonstrate DC functionality of graphene-based hot electron transistors, which we call Graphene Base Transistors (GBT). The fabrication scheme is potentially compatible with silicon technology and can be carried out at the…
We have studied the graphene/gold interface by means of density functional theory (DFT) and scanning tunneling spectroscopy (STS). Weak interaction between graphene and the underlying gold surface leaves unperturbed Dirac cones in the…
Magnetic gates in close proximity to graphene can induce ferromagnetic correlations. We study the effect of such induced magnetization dependent Zeeman splittings on the graphene transport properties. We estimate that induced spin…
Spin-triplet superconductivity is a key platform for topological quantum computing, yet its experimental realization and control in solid-state materials remain a significant challenge. For this purpose, we propose an ultrafast optical…
We cure the lack of spin torque in semilocal exchange-correlation (XC) functionals by treating XC effects in the framework of spin-current-density-functional theory (SCDFT), and present the implementation of the first kind of this novel…
Magic-angle twisted bilayer graphene (MATBG) has been extensively explored both theoretically and experimentally as a suitable platform for a rich and tunable phase diagram that includes ferromagnetism, charge order, broken symmetries, and…
Graphene-based materials show promise for spintronic applications due to their potentially large spin coherence length. On the other hand, because of their small intrinsic spin-orbit interaction, an external magnetic source is desirable in…
We theoretically investigate the spectrum of a single electron double quantum dot, defined by top gates in a graphene with a substrate induced gap. We examine the effects of electric and magnetic fields on the spectrum of localized states,…