Related papers: Theory of electronic and spin-orbit proximity effe…
The so-called spin-orbit proximity effect experimentally realized in graphene (G) on several different heavy metal surfaces opens a new perspective to engineer the spin-orbit coupling (SOC) for new generation spintronics devices. Here, via…
We present a combined DFT and model Hamiltonian analysis of spin-orbit coupling in graphene induced by copper adatoms in the bridge and top positions, representing isolated atoms in the dilute limit. The orbital physics in both systems is…
We use large-scale DFT calculations to investigate with unprecedented detail the so-called spin-orbit (SO) proximity effect in graphene adsorbed on the Pt(111) and Ni(111)/Au semi-infinite surfaces, previously studied via spin and angle…
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…
Graphene consists in a single-layer carbon crystal where 2$p_z$ electrons display a linear dispersion relation in the vicinity of the Fermi level, conveniently described by a massless Dirac equation in $2+1$ spacetime. Spin-orbit effects…
We report that the {\pi}-electrons of graphene can be spin-polarized to create a phase with a significant spin-orbit gap at the Dirac point (DP) using a graphene-interfaced topological insulator hybrid material. We have grown epitaxial…
We report on first-principles calculations of spin-dependent properties in graphene induced by its interaction with a nearby magnetic insulator (Europium oxide, EuO). The magnetic proximity effect results in spin polarization of graphene…
We present first-principles calculations of the electronic band structure and spin-orbit effects in graphene functionalized with methyl molecules in dense and dilute limits. The dense limit is represented by a 2$\times$2 graphene supercell…
The induced-proximity effects of nearly commensurate lattice structure of a graphene layer on Ni(111) and Co(0001) substrates in the AC stacking configuration are addressed through an analytical tight-binding approach within the…
A continuum model for the effective spin orbit interaction in graphene is derived from a tight-binding model which includes the $\pi$ and $\sigma$ bands. We analyze the combined effects of the intra-atomic spin-orbit coupling, curvature,…
We analyze the spin-orbit coupling effects in a three-degree twisted bilayer heterostructure made of graphene and an in-plane ferroelectric SnTe, with the goal of transferring the spin-orbit coupling from SnTe to graphene, via the proximity…
We perform systematic first-principles calculations of the proximity exchange coupling, induced by cobalt (Co) and nickel (Ni) in graphene, via a few (up to three) layers of hexagonal boron nitride (hBN). We find that the induced spin…
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its application is restricted by system size, leaving a number of…
Spin-orbit splitting in graphene on Ni, Au, or Ag (111) substrates was examined on the basis of density-functional theory. Graphene grown on the three metals was found to have Rashba splitting of a few or several tens of meV. The strong…
Graphene in spintronics has so far primarily meant spin current leads of high performance because the intrinsic spin-orbit coupling of its pi-electrons is very weak. If a large spin-orbit coupling could be created by a proximity effect, the…
Magnetic proximity effects in Co/hBN/graphene heterostructures are systematically analyzed via first-principles calculations, demonstrating a pronounced localized spatial variation of the induced spin polarization of graphene's Dirac…
Graphene, as a material with a small intrinsic spin-orbit interaction of approximately 1 $\mu$eV, has a limited application in spintronics. Adsorption of graphene on the surfaces of heavy-metals was proposed to induce the strong…
The development of a spintronics device relies on efficient generation of spin polarized currents and their electric field controlled manipulation. While observation of exceptionally long spin relaxation lengths make graphene an intriguing…
The electronic properties of graphene decorated with Ni, Co, Cu and Zn adatoms is studied with the density functional theory approach. Within the analysis the spin-orbit interaction is taken into account. We focus on the case when the…
We outline a Kohn-Sham-Dirac density-functional-theory (DFT) scheme for graphene sheets that treats slowly-varying inhomogeneous external potentials and electron-electron interactions on an equal footing. The theory is able to account for…