Electronic structure of NiS_{1-x}Se_x

We investigate the electronic structure of the metallic NiS$_{1-x}$Se$_x$ system using various electron spectroscopic techniques. The band structure results do not describe the details of the spectral features in the experimental spectrum, even for this paramagnetic metallic phase. However, a parameterized many-body multi-band model is found to be successful in describing the Ni~2$p$ core level and valence band, within the same model. The asymmetric line shape as well as the weak intensity feature in the Ni~2$p$ core level spectrum has been ascribed to extrinsic loss processes in the system. The presence of satellite features in the valence band spectrum shows the existence of the lower Hubbard band, deep inside the $pd$ metallic regime, consistent with the predictions of the dynamical mean field theory.Comment: To be published in Physical Review B, 18 pages and 5 figure

Antiferromagnetism and single-particle properties in the two-dimensional half-filled Hubbard model: a non-linear sigma model approach

We describe a low-temperature approach to the two-dimensional half-filled Hubbard model which allows us to study both antiferromagnetism and single-particle properties. This approach ignores amplitude fluctuations of the antiferromagnetic (AF) order parameter and is valid below a crossover temperature $T_X$ which marks the onset of AF short-range order. Directional fluctuations (spin waves) are described by a non-linear sigma model (NL$\sigma$M) that we derive from the Hubbard model. At zero temperature and weak coupling, our results are typical of a Slater antiferromagnet. The AF gap is exponentially small; there are well-defined Bogoliubov quasi-particles (QP's) (carrying most of the spectral weight) coexisting with a high-energy incoherent excitation background. As $U$ increases, the Slater antiferromagnet progressively becomes a Mott-Heisenberg antiferromagnet. The Bogoliubov bands evolve into Mott-Hubbard bands separated by a large AF gap. A significant fraction of spectral weight is transferred from the Bogoliubov QP's to incoherent excitations. At finite temperature, there is a metal-insulator transition between a pseudogap phase at weak coupling and a Mott-Hubbard insulator at strong coupling. Finally, we point out that our results straightforwardly translate to the half-filled attractive Hubbard model, where the ${\bf q}=(\pi,\pi)$ charge and ${\bf q}=0$ pairing fluctuations combine to form an order parameter with SO(3) symmetry.Comment: Revtex4, 19 pages, 14 figures; (v2) final version as publishe

Nonquasiparticle states in half-metallic ferromagnets

Anomalous magnetic and electronic properties of the half-metallic ferromagnets (HMF) have been discussed. The general conception of the HMF electronic structure which take into account the most important correlation effects from electron-magnon interactions, in particular, the spin-polaron effects, is presented. Special attention is paid to the so called non-quasiparticle (NQP) or incoherent states which are present in the gap near the Fermi level and can give considerable contributions to thermodynamic and transport properties. Prospects of experimental observation of the NQP states in core-level spectroscopy is discussed. Special features of transport properties of the HMF which are connected with the absence of one-magnon spin-flip scattering processes are investigated. The temperature and magnetic field dependences of resistivity in various regimes are calculated. It is shown that the NQP states can give a dominate contribution to the temperature dependence of the impurity-induced resistivity and in the tunnel junction conductivity. First principle calculations of the NQP-states for the prototype half-metallic material NiMnSb within the local-density approximation plus dynamical mean field theory (LDA+DMFT) are presented.Comment: 27 pages, 9 figures, Proceedings of Berlin/Wandlitz workshop 2004; Local-Moment Ferromagnets. Unique Properties for Moder Applications, ed. M. Donath, W.Nolting, Springer, Berlin, 200

Analyse écorégionale marine de Nouvelle-Calédonie : atelier d'identification des aires de conservation prioritaires

Dans le cadre de l'initiative pour les récifs coralliens du Pacifique sud (CRISP), le WWF-France a souhaité développer un projet pour la protection des récifs et des lagons néo-calédoniens. L'atelier, qui s'est déroulé les 10 et 11 août à Nouméa, avait pour objectif de rassembler les scientifiques et les experts du lagon néocalédonien pour identifier, sur la base de leur connaissance experte, les zones les plus remarquables du lagon (richesse, endémisme, originalité des faunes et flores, espèces emblématiques, zones d'intérêt fonctionnel) sur lesquelles doivent porter en priorité les efforts de conservation. Il a permis d'identifier 20 aires prioritaires pour la conservation, parmi lesquelles 6 ont un intérêt mondial, 4 ont un intérêt sur le plan régional, les autres ayant un intérêt local

Understanding Novel Superconductors with Ab Initio Calculations

This chapter gives an overview of the progress in the field of computational superconductivity. Following the MgB2 discovery (2001), there has been an impressive acceleration in the development of methods based on Density Functional Theory to compute the critical temperature and other physical properties of actual superconductors from first-principles. State-of-the-art ab-initio methods have reached predictive accuracy for conventional (phonon-mediated) superconductors, and substantial progress is being made also for unconventional superconductors. The aim of this chapter is to give an overview of the existing computational methods for superconductivity, and present selected examples of material discoveries that exemplify the main advancements.Comment: 38 pages, 10 figures, Contribution to Springer Handbook of Materials Modellin