304 research outputs found

    Observation of Microlensing towards the Galactic Spiral Arms. EROS II 2 year survey

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    We present the analysis of the light curves of 8.5 million stars observed during two seasons by EROS (Experience de Recherche d'Objets Sombres), in the galactic plane away from the bulge. Three stars have been found that exhibit luminosity variations compatible with gravitational microlensing effects due to unseen objects. The corresponding optical depth, averaged over four directions, is 0.38 (+0.53, -0.15) 10^{-6}. All three candidates have long Einstein radius crossing times (∟\sim 70 to 100 days). For one of them, the lack of evidence for a parallax or a source size effect enabled us to constrain the lens-source % geometric configuration. Another candidate displays a modulation of the magnification, which is compatible with the lensing of a binary source. The interpretation of the optical depths inferred from these observations is hindered by the imperfect knowledge of the distance to the target stars. Our measurements are compatible with expectations from simple galactic models under reasonable assumptions on the target distances.Comment: 11 pages, 13 figures, accepted by A&A in Aug 9

    A Self-consistent DFT+DMFT scheme in the Projector Augmented Wave : Applications to Cerium, Ce2O3 and Pu2O3 with the Hubbard I solver and comparison to DFT+U

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    An implementation of full self-consistency over the electronic density in the DFT+DMFT framework on the basis of a plane wave-projector augmented wave (PAW) DFT code is presented. It allows for an accurate calculation of the total energy in DFT+DMFT within a plane wave approach. In contrast to frameworks based on the maximally localized Wannier function, the method is easily applied to f electron systems, such as cerium, cerium oxide (Ce2O3) and plutonium oxide (Pu2O3). In order to have a correct and physical calculation of the energy terms, we find that the calculation of the self-consistent density is mandatory. The formalism is general and does not depend on the method used to solve the impurity model. Calculations are carried out within the Hubbard I approximation, which is fast to solve, and gives a good description of strongly correlated insulators. We compare the DFT+DMFT and DFT+U solutions, and underline the qualitative differences of their converged densities. We emphasize that in contrast to DFT+U, DFT+DMFT does not break the spin and orbital symmetry. As a consequence, DFT+DMFT implies, on top of a better physical description of correlated metals and insulators, a reduced occurrence of unphysical metastable solutions in correlated insulators in comparison to DFT+U.Comment: 19 pages, 9 figures. This is an author-created, un-copyedited version of an article accepted for publication in Journal of Physics: Condensed Matter. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at doi: 10.1088/0953-8984/24/7/07560

    A Benefit-Cost Analysis of Tulsa Pre-K, Based on Effects on High School Graduation and College Attendance

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    This paper presents new benefit-cost estimates for the Tulsa universal preschool program. These calculations are based on estimated effects from previous papers of Tulsa pre-K on high school graduation rates and college attendance rates of students who were enrolled in kindergarten in Tulsa Public Schools in the fall of 2006. In this paper, educational effects from these prior papers are used to infer lifetime earnings effects and are compared with program costs. Our conservative estimates of earnings effects suggest that per pre-K participant, the present value of earnings effects in 2021 dollars is 25,533,comparedwithprogramcostsof25,533, compared with program costs of 9,628, for a benefit-cost ratio of 2.65. Compared to prior benefit-cost studies of Tulsa pre-K, this benefit-cost ratio is below what was predicted from Tulsa pre-K’s estimated effects on kindergarten test scores, but above what was predicted from Tulsa pre-K’s estimated effects on grade retention by ninth grade. This fading and recovery of predicted pre-K effects as children go through K–12 and then enter adulthood is consistent with prior research. It attests to the importance of the “soft skill” effects of pre-K and reminds us that short-term studies of pre-K provide useful information for public-policy decisions

    Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals

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    The description of realistic strongly correlated systems has recently advanced through the combination of density functional theory in the local density approximation (LDA) and dynamical mean field theory (DMFT). This LDA+DMFT method is able to treat both strongly correlated insulators and metals. Several interfaces between LDA and DMFT have been used, such as (N-th order) Linear Muffin Tin Orbitals or Maximally localized Wannier Functions. Such schemes are however either complex in use or additional simplifications are often performed (i.e., the atomic sphere approximation). We present an alternative implementation of LDA+DMFT, which keeps the precision of the Wannier implementation, but which is lighter. It relies on the projection of localized orbitals onto a restricted set of Kohn-Sham states to define the correlated subspace. The method is implemented within the Projector Augmented Wave (PAW) and within the Mixed Basis Pseudopotential (MBPP) frameworks. This opens the way to electronic structure calculations within LDA+DMFT for more complex structures with the precision of an all-electron method. We present an application to two correlated systems, namely SrVO3 and beta-NiS (a charge-transfer material), including ligand states in the basis-set. The results are compared to calculations done with Maximally Localized Wannier functions, and the physical features appearing in the orbitally resolved spectral functions are discussed.Comment: 15 pages, 17 figure

    Study of the volume and spin collapse in orthoferrite LuFeO_3 using LDA+U

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    Rare earth (R) orthoferrites RFeO_3 exhibit large volume transitions associated with a spin collapse. We present here ab initio calculations on LuFeO_3. We show that taking into account the strong correlation among the Fe-3d electrons is necessary. Indeed, with the LDA+U method in the Projector Augmented Wave (PAW), we are able to describe the isostructural phase transition at 50 GPa, as well as a volume discontinuity of 6.0% at the transition and the considerable reduction of the magnetic moment on the Fe ions. We further investigate the effect of the variation of U and J and find a linear dependence of the transition pressure on these parameters. We give an interpretation for the non-intuitive effect of J. This emphasizes the need for a correct determination of these parameters especially when the LDA+U is applied to systems (e.g in geophysical investigations) where the transition pressure is a priori unknown

    Self-consistency over the charge-density in dynamical mean-field theory: a linear muffin-tin implementation and some physical implications

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    We present a simple implementation of the dynamical mean-field theory approach to the electronic structure of strongly correlated materials. This implementation achieves full self-consistency over the charge density, taking into account correlation-induced changes to the total charge density and effective Kohn-Sham Hamiltonian. A linear muffin-tin orbital basis-set is used, and the charge density is computed from moments of the many body momentum-distribution matrix. The calculation of the total energy is also considered, with a proper treatment of high-frequency tails of the Green's function and self-energy. The method is illustrated on two materials with well-localized 4f electrons, insulating cerium sesquioxide Ce2O3 and the gamma-phase of metallic cerium, using the Hubbard-I approximation to the dynamical mean-field self-energy. The momentum-integrated spectral function and momentum-resolved dispersion of the Hubbard bands are calculated, as well as the volume-dependence of the total energy. We show that full self-consistency over the charge density, taking into account its modification by strong correlations, can be important for the computation of both thermodynamical and spectral properties, particularly in the case of the oxide material.Comment: 20 pages, 6 figures (submitted in The Physical Review B

    Correlated hopping of electrons: Effect on the Brinkman-Rice transition and the stability of metallic ferromagnetism

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    We study the Hubbard model with bond-charge interaction (`correlated hopping') in terms of the Gutzwiller wave function. We show how to express the Gutzwiller expectation value of the bond-charge interaction in terms of the correlated momentum-space occupation. This relation is valid in all spatial dimensions. We find that in infinite dimensions, where the Gutzwiller approximation becomes exact, the bond-charge interaction lowers the critical Hubbard interaction for the Brinkman-Rice metal-insulator transition. The bond-charge interaction also favors ferromagnetic transitions, especially if the density of states is not symmetric and has a large spectral weight below the Fermi energy.Comment: 5 pages, 3 figures; minor changes, published versio

    Consistent LDA'+DMFT approach to electronic structure of transition metal oxides: charge transfer insulators and correlated metals

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    We discuss the recently proposed LDA'+DMFT approach providing consistent parameter free treatment of the so called double counting problem arising within the LDA+DMFT hybrid computational method for realistic strongly correlated materials. In this approach the local exchange-correlation portion of electron-electron interaction is excluded from self consistent LDA calculations for strongly correlated electronic shells, e.g. d-states of transition metal compounds. Then the corresponding double counting term in LDA+DMFT Hamiltonian is consistently set in the local Hartree (fully localized limit - FLL) form of the Hubbard model interaction term. We present the results of extensive LDA'+DMFT calculations of densities of states, spectral densities and optical conductivity for most typical representatives of two wide classes of strongly correlated systems in paramagnetic phase: charge transfer insulators (MnO, CoO and NiO) and strongly correlated metals (SrVO3 and Sr2RuO4). It is shown that for NiO and CoO systems LDA'+DMFT qualitatively improves the conventional LDA+DMFT results with FLL type of double counting, where CoO and NiO were obtained to be metals. We also include in our calculations transition metal 4s-states located near the Fermi level missed in previous LDA+DMFT studies of these monooxides. General agreement with optical and X-ray experiments is obtained. For strongly correlated metals LDA′^\prime+DMFT results agree well with earlier LDA+DMFT calculations and existing experiments. However, in general LDA'+DMFT results give better quantitative agreement with experimental data for band gap sizes and oxygen states positions, as compared to the conventional LDA+DMFT.Comment: 13 pages, 11 figures, 1 table. In v2 there some additional clarifications are include

    Improved stability regions for ground states of the extended Hubbard model

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    The ground state phase diagram of the extended Hubbard model containing nearest and next-to-nearest neighbor interactions is investigated in the thermodynamic limit using an exact method. It is found that taking into account local correlations and adding next-to-nearest neighbor interactions both have significant effects on the position of the phase boundaries. Improved stability domains for the Ρ\eta-pairing state and for the fully saturated ferromagnetic state at half filling have been constructed. The results show that these states are the ground states for model Hamiltonians with realistic values of the interaction parameters.Comment: 21 pages (10 figures are included) Revtex, revised version. To be published in Phys. Rev. B. E-mail: [email protected]
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