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First-principles calculations of the spin-orbit coupling in graphene with hydrogen adatoms in dense and dilute limits are presented. The chemisorbed hydrogen induces a giant local enhancement of spin-orbit coupling due to $sp^3$…

Mesoscale and Nanoscale Physics · Physics 2013-06-18 Martin Gmitra , Denis Kochan , Jaroslav Fabian

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…

Mesoscale and Nanoscale Physics · Physics 2024-07-01 Marko Milivojević , Martin Gmitra , Marcin Kurpas , Ivan Štich , Jaroslav Fabian

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…

The decoration of graphene samples with adatoms or nanoparticles leads to the enhancement of spin-orbit interactions as well as to the introduction of symmetry-breaking effects that could have drastic effects on spin and electronic…

Mesoscale and Nanoscale Physics · Physics 2015-04-13 Mahmoud M. Asmar , Sergio E. Ulloa

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…

Materials Science · Physics 2015-06-03 J. Slawinska , I. Wlasny , P. Dabrowski , Z. Klusek , I. Zasada

Metal atoms on graphene, when ionized, can act as a point charge impurity to probe a charge response of graphene with the Dirac cone band structure. To understand the microscopic physics of the metal-atom-induced charge and spin…

Materials Science · Physics 2010-11-16 Jae-Hyeon Parq , Jaejun Yu , Young-Kyun Kwon , Gunn Kim

The naturally weak spin-orbit coupling in Graphene can be largely enhanced by adatom deposition (e.g. Weeks et al. Phys. Rev. X 1, 021001 (2011)). However, the dynamics of the adatoms also induces a coupling between phonons and the electron…

Mesoscale and Nanoscale Physics · Physics 2015-07-29 Jhih-Shih You , Daw-Wei Wang , Miguel A. Cazalilla

We perform a density functional theory study of the effects of oxygen adsorption on the structural and electronic properties of Gr/Co(0001) and Gr/Co/Ir(111) interfaces. In both interfaces, the graphene-Co distance increases with increasing…

Materials Science · Physics 2022-08-05 Dario A. Leon , Andrea Ferretti , Daniele Varsano , Elisa Molinari , Claudia Cardoso

Spintronics---the all-electrical control of the electron spin for quantum or classical information storage and processing---is one of the most promising applications of the two-dimensional material graphene. Although pristine graphene has…

Mesoscale and Nanoscale Physics · Physics 2018-10-24 Chunli Huang , Y. D. Chong , Miguel. A. Cazalilla

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…

Mesoscale and Nanoscale Physics · Physics 2017-04-04 B. Berche , F. Mireles , E. Medina

The proximity-induced spin-orbit coupling (SOC) in heterostructures of twisted graphene and topological insulators (TIs) Bi$_2$Se$_3$ and Bi$_2$Te$_3$ is investigated from first principles. To build commensurate supercells, we strain…

Mesoscale and Nanoscale Physics · Physics 2023-06-07 Thomas Naimer , Jaroslav Fabian

Electronic decoupling of graphene from metallic and semiconducting substrates via intercalation of different species is one of the widely used approaches in studies of graphene. In the present work the modification of the electronic and…

Materials Science · Physics 2021-12-24 Yong Zhou , Roman Ovcharenko , Beate Paulus , Yuriy Dedkov , Elena Voloshina

Proximity effects induced in the 2D Dirac material graphene potentially open access to novel and intriguing physical phenomena. Thus far, the coupling between graphene and ferromagnetic insulators has been experimentally established.…

van der Waals heterostructures assembled from atomically thin crystals are ideal model systems to study spin-orbital coupled transport because they exhibit a strong interplay between spin, lattice and valley degrees of freedom that can be…

Mesoscale and Nanoscale Physics · Physics 2021-08-18 Carmen Monaco , Aires Ferreira , Roberto Raimondi

The spin-orbit couplings (SOCs) of hydrogenated and fluorinated graphenes are calculated from the first principles method. It is found that the SOC-induced band splittings near their Fermi energies can be significantly enhanced to the order…

Mesoscale and Nanoscale Physics · Physics 2016-08-19 Jian Zhou , Qifeng Liang , Jinming Dong

Epitaxial graphene/ferromagnetic metal (Gr/FM) heterostructures deposited onto heavy metals (HM) have been proposed for the realization of novel spintronic devices because of their perpendicular magnetic anisotropy and sizeable…

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…

Mesoscale and Nanoscale Physics · Physics 2016-01-27 Klaus Zollner , Tobias Frank , Susanne Irmer , Martin Gmitra , Denis Kochan , Jaroslav Fabian

Spin-orbit coupling (SOC) can provide essential tools to manipulate electron spins in two-dimensional materials like graphene, which is of great interest for both fundamental physics and spintronics application. In this paper, we report the…

Mesoscale and Nanoscale Physics · Physics 2021-10-12 Shimin Cao , Chuanwu Cao , Shibing Tian , Jian-Hao Chen

Hydrogen adatoms are one of the most the promising proposals for the functionalization of graphene. Hydrogen induces narrow resonances near the Dirac energy, which lead to the formation of magnetic moments. Furthermore, they also create…

Mesoscale and Nanoscale Physics · Physics 2018-04-24 Luis A. González-Árraga , J. L. Lado , F. Guinea

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…

Mesoscale and Nanoscale Physics · Physics 2026-01-13 Klaus Zollner , Lukas Cvitkovich , Riccardo Silvioli , Andreas V. Stier , Jaroslav Fabian