相关论文: Ferromagnetism in nitrogen doped graphene

We focused on elastic properties of B- and N-doped graphene in wide range of concentrations up to 20%. The Young's, bulk and shear moduli and Poisson's ratio have been calculated by means of the density functional theory for a…

We present a theoretical study of the structural and electronic properties of graphene monolayer functionalized with boron and nitrogen atoms substituting carbon atoms. Our study is based on the ab initio calculations in the framework of…

Ferromagnetism is typically discussed in terms of the exchange interaction and magnetic anisotropies. Yet real samples are inevitably affected by the magnetostatic dipole-dipole interaction. Because of this interaction, a theorem (R.B.…

We have studied the magnetic and transport behavior of doped La0.65 A0.35 Mn0.95Fe0.05 O3 (A= Ca, Sr, Pb, Ba) compounds. All the compositions show ferromagnetic/metal to paramagnetic/insulator transition except the Pb doped sample which is…

We present a computational method to determine the exchange constants in isotropic spin models. The method uses the Hamiltonian and overlap matrices computed from density functional schemes that are based on nonorthogonal basis sets. We…

We present a theoretical study of indirect exchange interaction between magnetic adatoms in graphene. The coupling between the adatoms to a graphene sheet is described in the framework of tunneling Hamiltonian. We account for the…

Magnetism in transition-metal systems emerges from exchange interactions that depend sensitively on carrier density. Yet leveraging this sensitivity to deliberately engineer exchange frustration and associated topological spin textures…

The superexchange theory predicts dominant antiferromagnetic kinetic interaction when the orbitals accommodating magnetic electrons are covalently bonded through diamagnetic bridging atoms/groups. Here we show that explicit consideration of…

Among the different strategies used to induce the opening of a band gap in graphene, one common practice is through chemical doping. While a gap may me opened in this way, disorder-induced scattering is an unwanted side-effect that impacts…

High-quality nitrogen-doped graphene on nickel is prepared by exploiting both the catalytic properties of nickel and the solubility of nitrogen atoms into its bulk. Following the standard chemical vapor deposition procedure, a previously…

In recent years, various doping methods for epitaxial graphene have been demonstrated through atom substitution and adsorption. Here we observe by angle-resolved photoemission spectroscopy (ARPES) a coupling-induced Dirac cone…

We study the transition from ballistic to diffusive and localized transport in graphene nanoribbons in the presence of binary disorder, which can be generated by chemical adsorbates or substitutional doping. We show that the interplay…

We propose a unique way to control both bandgap and the magnetic properties of nanoscale graphene, which might prove highly beneficial for application in nanoelectronic and spintronic devices. We have shown that chemical doping by nitrogen…

The feasibility of a single-domain ferromagnet based on uniaxial magnetic ions was examined. For a noncentrosymmetric uniaxial magnetic ion of magnetic moment at a site of local electric dipole moment p, it is unknown to date whether the…

Here we demonstrate the occurrence of robust itinerant ferromagnetism in Mott-Hubbard systems at both low and high doping concentrations. Specifically, we study the effect of hole doping on the experimentally synthesized LaCrAsO via…

We carried out density functional theory calculations to model the electronic structure and the magnetic interactions in copper doped anatase and rutile titanium dioxide in order to shed light on the potential of these systems as magnetic…

Graphene oxide continues to amaze scientific community for multiple potentials in a broad span of applications such as catalysts, adsorbents, oxidants, etc., determined by constant unveiling of its fantastic natures. Of them, magnetism is…

Magnetic moments strongly coupled to the spins of conduction electrons in a nanostructure can confine the conduction-electron motion due to scattering at almost localized Kondo singlets. We study the resulting local-moment formation in the…

We build a tight-binding Hamiltonian describing Co/Ni over graphene, contemplating ATOP (a Co/Ni atom on top of each Carbon atom of one graphene sublattice) and HCP (one Co/Ni atom per Graphene plaquette) configurations. For the ATOP…

Atomic defects have a significant impact in the low-energy properties of graphene systems. By means of first-principles calculations and tight-binding models we provide evidence that chemical impurities modify both the normal and the…