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Towards spin selective electronics made of three coordinated carbon atoms, here we computationally propose robust and reversibly bias driven evolution of pristine undoped graphene nano-ribbons(GNR) into ferromagnetic-semiconductor, metal or…
Using density functional theory (DFT), Hartree-Fock, exact diagonalization, and numerical renormalization group methods we study the electronic structure of diluted hydrogen atoms chemisorbed on graphene. A comparison between DFT and…
We have used spin-polarized neutron reflectometry to investigate the magnetization profile of superlattices composed of ferromagnetic Gd and superconducting Nb layers. We have observed a partial suppression of ferromagnetic (F) order of Gd…
Hydrogen adatoms on graphene are investigated using DFT and analytical approaches. We demonstrate that the level of lattice deformation due to the hydrogen adsorption does not substantially change the coupling between the graphene $p_{z}$…
One of the primary objectives in molecular nano-spintronics is to manipulate the spin states of organic molecules with a d-electron center, by suitable external means. In this letter, we demonstrate by first principles density functional…
Defects in graphene, such as vacancies or adsorbents attaching themselves to carbons, may preferentially take positions on one of its two sublattices, thus breaking the global lattice symmetry. This leads to opening a gap in the electronic…
The core of the vortex in a general superconducting order parameter in graphene is argued to be ordered, with the possible order parameters forming the algebra U(1) X Cl(3), where Cl(3) is the three dimensional Clifford algebra. A…
Heavily doping graphene by intercalation can raise its Fermi level near an extended van Hove singularity, potentially inducing correlated electronic phases. Intercalation also modifies the band structure: dopants may hybridize with carbon…
In mean-field-theory bilayer graphene's massive Dirac fermion model has a family of broken inversion symmetry ground states with charge gaps and flavor dependent spontaneous inter layer charge transfers. We use a lattice Hartree-Fock model…
We use neutron scattering to study the lattice and magnetic structure of the layered half-doped manganite Pr$_{0.5}$Ca$_{1.5}$MnO$_4$. On cooling from high temperature, the system first becomes charge- and orbital- ordered (CO/OO) near…
Coupling between spin and lattice degrees of freedom are important in geometrically frustrated magnets where they can lead to degeneracy lifting and novel orders. We show that moderate spin-lattice couplings in triangular and Kagome…
We determine the nature of the magnetic order on the surface of a topological insulator (TI) which develops due to hexagonal warping and the resulting Fermi surface (FS) nesting in the presence of a repulsive Hubbard interaction. For this…
We present a detailed theoretical study of effective spin-orbit coupling (SOC) Hamiltonians for graphene based systems, covering global effects such as proximity to substrates and local SOC effects resulting, for example, from dilute…
We investigate the electronic structure of graphene on a series of 2D hexagonal nitride insulators hXN, X = B, Al, and Ga, with DFT calculations. A symmetry-based model Hamiltonian is employed to extract orbital parameters and spin-orbit…
The noninteracting electronic structures of tight binding models on bipartite lattices with unequal numbers of sites in the two sublattices have a number of unique features, including the presence of spatially localized eigenstates and flat…
The Kondo effect typically arises from the spin-flip scattering between the localized magnetic moment of the impurity and the delocalized electrons in the metallic host, which leads to a variety of intriguing phenomena. Here, by using…
The behaviour of a Dirac electron in graphene, under magnetic fields which are orthogonal to the layer, is studied. The initial problem is reduced to an equivalent one, where two one-dimensional Schr\"{o}dinger Hamiltonians $H^{\pm}$ are…
We study the order parameter symmetry in a hexagonal crystal with co-existing superconductivity and ferromagnetism. An experimental example is provided by carbon-based materials, such as graphite-sulfur composites, in which an evidence of…
Recent experimental observations have reported that, rather than randomly distributed, nitrogen atoms may prefer to be located on one of the two sub-lattices of graphene. It has been suggested that such a preference may present a possible…
We consider theoretically the influence of crystalline fields on the electronic structure of graphene placed on a layered material with reduced symmetry and large spin-orbit coupling (SOC). We use a perturbative procedure combined with the…