Related papers: Ferromagnetic order induced on graphene by Ni/Co p…
Twisted double- and mono-bilayer graphene are graphene-based moir\'e materials hosting strongly correlated fermions in a gate-tunable conduction band with a topologically non-trivial character. Using unbiased exact diagonalization…
The in-plane lattice constants of close-packed planes of fcc and hcp Ni and Co match that of graphite almost perfectly so that they share a common two dimensional reciprocal space. Their electronic structures are such that they overlap in…
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 $sp^3$…
The negligible intrinsic spin-orbit coupling (SOC) in graphene can be enhanced by proximity effects in stacked heterostructures of graphene and transition metal dichalcogenides (TMDCs). The composition of the TMDC layer plays a key role in…
Altermagnetism stands as a third type of collinear magnetic order, whose band structure combines a net zero magnetization with a non-relativistic spin-splitting caused by a broken time reversal symmetry. So far, the strategy to design…
When monolayer graphene is crystallographically aligned to hexagonal boron nitride (BN), a moir\'e superlattice is formed, producing characteristic satellite Dirac peaks in the electronic band structure. Aligning a second BN layer to…
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…
Many of the exotic properties proposed to occur in graphene rely on the possibility of increasing the spin orbit coupling (SOC). By combining analytical and numerical tight binding calculations, in this work we study the SOC induced by…
When hexagonal boron nitride (hBN) and graphene are aligned at zero or small twist angle, a moir\'e structure is formed due to the small lattice constant mismatch between the two structures. In this work, we analyze magnetic ordering…
The independent predictions of edge ferromagnetism and the Quantum Spin Hall phase in graphene have inspired the quest of other two dimensional honeycomb systems, such as silicene, germanene, stanene, iridiates, and organometallic lattices,…
Graphene is expected to complement todays Si-based information technology. In particular, magnetic molecules in contact with graphene constitute a tantalizing approach towards organic spin electronics because of the reduced conductivity…
Possible stably-ordered substitutional structures based on a graphene-type crystal lattice are considered. A kinetic model of atomic ordering in metal-doped graphene with stoichiometric (1/8, 1/4, 1/2) and nonstoichiometric compositions is…
Carbon allotropes such as diamond, nano-tube, Fullerene, and Graphene, have unique lattice symmetries of crystal lattice, but these are topologically trivial. We have proposed a topologically-nontrivial allotrope, named Hopfene, which has…
We show how hydrogenation of graphene nanoribbons at small concentrations can open new venues towards carbon-based spintronics applications regardless of any especific edge termination or passivation of the nanoribbons. Density functional…
We study the effects that ripples induce on the electrical and magnetic properties of graphene. The variation of the interatomic distance created by the ripples translates in a modulation of the hopping parameter between carbon atoms. A…
This work introduces a new class of two-dimensional crystals with the structure AC$_8$XC$_8$, consisting of two layers of graphene, a chalcogen (X = O, S, Se, Te) intercalation layer, and an alkaline earth (A = Be, Ca, Mg, Sr, Ba) adlayer.…
The metal atoms, the alkali ones excepted, might provide the multiple outermost orbitals for the multi-orbital hybridizations with the out-of-plane $\pi$ bondings on the honeycomb lattice. This will dominate the fundamental properties of…
Carbon (C) doped hexagonal boron nitride (hBN) has been experimentally reported to be ferromagnetic at room temperature. Substitution by C in hBN has been also reported to form islands of graphene. In this work we derive a mechanistic…
In order to investigate the interaction between single vacancies in a graphene sheet, we have used spin-polarized density functional theory (DFT). Two distinct configurations were considered, either with the two vacancies located in the…
The electron-transport properties of adatom-graphene system are investigated for different (random, correlated, and ordered) spatial configurations of adatoms over different types of high symmetry sites with various adsorption heights. K…