A critical analysis of vacancy-induced magnetism in mono and bilayer graphene

The observation of intrinsic magnetic order in graphene and graphene-based materials relies on the formation of magnetic moments and a sufficiently strong mutual interaction. Vacancies are arguably considered the primary source of magnetic moments. Here we present an in-depth density functional theory study of the spin-resolved electronic structure of (monoatomic) vacancies in graphene and bilayer graphene. We use two different methodologies: supercell calculations with the SIESTA code and cluster-embedded calculations with the ALACANT package. Our results are conclusive: The vacancy-induced extended $\pi$ magnetic moments, which present long-range interactions and are capable of magnetic ordering, vanish at any experimentally relevant vacancy concentration. This holds for $\sigma$-bond passivated and un-passivated reconstructed vacancies, although, for the un-passivated ones, the disappearance of the $\pi$ magnetic moments is accompanied by a very large magnetic susceptibility. Only for the unlikely case of a full $\sigma$-bond passivation, preventing the reconstruction of the vacancy, a full value of 1$\mu_B$ for the $\pi$ extended magnetic moment is recovered for both mono and bilayer cases. Our results put on hold claims of vacancy-induced ferromagnetic or antiferromagnetic order in graphene-based systems, while still leaving the door open to $\sigma$-type paramagnetism.Comment: Submitted to Phys. Rev B, 9 page

Vortex density fluctuations in quantum turbulence

We compute the frequency spectrum of turbulent superfluid vortex density fluctuations and obtain the same Kolmogorov scaling which has been observed in a recent experiment in Helium-4. We show that the scaling can be interpreted in terms of the spectrum of reconnecting material lines. The calculation is performed using a vortex tree algorithm which considerably speeds up the evaluation of Biot-Savart integrals.Comment: 7 Pages, 7 figure

A construction of integer-valued polynomials with prescribed sets of lengths of factorizations

For an arbitrary finite set S of natural numbers greater 1, we construct an integer-valued polynomial f, whose set of lengths in Int(Z) is S. The set of lengths of f is the set of all natural numbers n, such that f has a factorization as a product of n irreducibles in Int(Z)={g in Q[x] | g(Z) contained in Z}.Comment: To appear in Monatshefte f\"ur Mathematik; 11 page

Neutral and ionic dopants in helium clusters: interaction forces for the Li2(a3Σu+)−HeLi_2(a^3\Sigma_u^+)-He and Li2+(X2Σg+)−HeLi_2^+(X^2\Sigma_g^+)-He

The potential energy surface (PES) describing the interactions between $\mathrm{Li_{2}(^{1}\Sigma_{u}^{+})}$ and $\mathrm{^{4}He}$ and an extensive study of the energies and structures of a set of small clusters, $\mathrm{Li_{2}(He)_{n}}$, have been presented by us in a previous series of publications [1-3]. In the present work we want to extend the same analysis to the case of the excited $\mathrm{Li_{2}}(a^{3}\Sigma_{u}^{+})$ and of the ionized Li$_{2}^{+}(X^{2}\Sigma_{g}^{+})$ moiety. We thus show here calculated interaction potentials for the two title systems and the corresponding fitting of the computed points. For both surfaces the MP4 method with cc-pV5Z basis sets has been used to generate an extensive range of radial/angular coordinates of the two dimensional PES's which describe rigid rotor molecular dopants interacting with one He partner

Kinetic energy cascades in quasi-geostrophic convection in a spherical shell

We consider triadic nonlinear interaction in the Navier-Stokes equation for quasi-geostrophic convection in a spherical shell. This approach helps understanding the origin of kinetic energy transport in the system and the particular scheme of mode interaction, as well as the locality of the energy transfer. The peculiarity of convection in the sphere, concerned with excitation of Rossby waves, is considered. The obtained results are compared with our previous study in Cartesian geometry

Multifractality of the Feigenbaum attractor and fractional derivatives

It is shown that fractional derivatives of the (integrated) invariant measure of the Feigenbaum map at the onset of chaos have power-law tails in their cumulative distributions, whose exponents can be related to the spectrum of singularities $f(\alpha)$. This is a new way of characterizing multifractality in dynamical systems, so far applied only to multifractal random functions (Frisch and Matsumoto (J. Stat. Phys. 108:1181, 2002)). The relation between the thermodynamic approach (Vul, Sinai and Khanin (Russian Math. Surveys 39:1, 1984)) and that based on singularities of the invariant measures is also examined. The theory for fractional derivatives is developed from a heuristic point view and tested by very accurate simulations.Comment: 20 pages, 5 figures, J.Stat.Phys. in pres

Non-equilibrium temperatures in steady-state systems with conserved energy

We study a class of non-equilibrium lattice models describing local redistributions of a globally conserved quantity, which is interpreted as an energy. A particular subclass can be solved exactly, allowing to define a statistical temperature T_{th} along the same lines as in the equilibrium microcanonical ensemble. We compute the response function and find that when the fluctuation-dissipation relation is linear, the slope T_{FD}^{-1} of this relation differs from the inverse temperature T_{th}^{-1}. We argue that T_{th} is physically more relevant than T_{FD}, since in the steady-state regime, it takes equal values in two subsystems of a large isolated system. Finally, a numerical renormalization group procedure suggests that all models within the class behave similarly at a coarse-grained level, leading to a new parameter which describes the deviation from equilibrium. Quantitative predictions concerning this parameter are obtained within a mean-field framework.Comment: 16 pages, 2 figures, submitted to Phys. Rev.