相关论文: sp-Electron Magnetic Clusters with a Large Spin in…

Recent experiments indicate room-temperature ferromagnetism in graphite-like materials. This paper offers multiple spin state analysis applied to asymmetric graphene molecule to find out mechanism of ferromagnetic nature. First principle…

We study theoretically many-body properties of magic-angle twisted bilayer graphene for different doping levels. Our investigation is focused on the emergence, stability, and manifestations of nematicity of the ordered low-temperature…

We study the electronic structure and magnetic properties of h-BN triangular clusters embedded in graphene supercells. We find that, depending on the sizes of the clusters and the graphene separation region between them, spin polarization…

Using the low-energy effective Hamiltonian of the ABC-stacked multilayer graphene, pseudo spin coupling to real orbital angular momentum of electron in multilayer graphene is investigated. We show that electron wave function in N-layer…

While graphene is a semi-metal, a recently synthesized hydrogenated graphene called graphane, is an insulator. We have probed the transformation of graphene upon hydrogenation to graphane within the framework of density functional theory.…

In this review we discuss the multifaceted problem of spin transport in hydrogenated graphene from a theoretical perspective. The current experimental findings suggest that hydrogenation can either increase or decrease spin lifetimes, which…

We investigate a well defined heterostructure constituted by magnetic Fe layers sandwiched between graphene (Gr) and Ir(111). The challenging task to avoid Fe-C solubility and Fe-Ir intermixing has been achieved with atomic controlled Fe…

Several experiments have recently found room-temperature ferromagnetism in graphite-like carbon based materials. This paper offers a model explaining such ferromagnetism by using an asymmetric nano-graphene. Our first typical model is…

Graphitic nanostructures, e.g. carbon nanotubes (CNT) and graphene, have been proposed as ideal materials for spin conduction[1-7]; they have long electronic mean free paths[8] and small spin-orbit coupling[9], hence are expected to have…

Graphene can develop large magnetic moments in custom crafted open-shell nanostructures such as triangulene, a triangular piece of graphene with zigzag edges. Current methods of engineering graphene nano-systems on surfaces succeeded in…

In this paper, we propose a practical way to stabilize half-hydrogenated graphene (graphone). We show that the dipole moments induced by an hexagonal-boron nitride (h-BN) substrate on graphene stabilize the hydrogen atoms on one sublattice…

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…

Using calculations on defective graphene from first principles, we herein consider the dependence of the properties of the monovacancy of graphene under isotropic strain, with a particular focus on spin moments. At zero strain, the vacancy…

Spin electronic structure of graphene pi-states and Pt 5d-states for the Graphene/Pt interface has been investigated. Here, we report a large induced spin-orbit splitting (~70-100 meV) of graphene pi-states with formation of non-degenerated…

We predict that neutral graphene bilayers are pseudospin magnets in which the charge density-contribution from each valley and spin spontaneously shifts to one of the two layers. The band structure of this system is characterized by a…

We investigate the magnetic properties of nano-holes (NHs) patterned in graphene using first principles calculations. We show that superlattices consisting of a periodic array of NHs form a new family of 2D crystalline "bulk" magnets whose…

Theoretical calculations, based on hybrid exchange density functional theory, are used to show that in graphene a periodic array of defects generates a ferromagnetic ground state at room temperature for unexpectedly large defect…

The electronic and magnetic properties of graphane with H-vacancies are investigated with the help of quantum-chemistry methods. The hybridization of the edges is found to be absolutely crucial in defining the size of the bandgap, which is…

Graphene, with spin and valley degrees of freedom, fosters unexpected physical and chemical properties for the realization of next-generation quantum devices. However, the spin symmetry of graphene is rather robustly protected, hampering…

Hyperfine interactions, magnetic interactions between the spins of electrons and nuclei, in graphene and related carbon nanostructures are studied. By using a combination of accurate first principles calculations on graphene fragments and…