Electronic structure of the ferromagnetic superconductor UCoGe from first principles

The superconductor UCoGe is analyzed with electronic structure calculations using Linearized Augmented Plane Wave method based on Density Functional Theory. Ferromagnetic and antiferromagnetic calculations with and without correlations (via LDA+U) were done. In this compound the Fermi level is situated in a region where the main contribution to DOS comes from the U-5f orbital. The magnetic moment is mainly due to the Co-3d orbital with a small contribution from the U-5f orbital. The possibility of fully non-collinear magnetism in this compound seems to be ruled out. These results are compared with the isostructural compound URhGe, in this case the magnetism comes mostly from the U-5f orbital

Charge order in Magnetite. An LDA+UU study

The electronic structure of the monoclinic structure of Fe$_3$O$_4$ is studied using both the local density approximation (LDA) and the LDA+$U$. The LDA gives only a small charge disproportionation, thus excluding that the structural distortion should be sufficient to give a charge order. The LDA+$U$ results in a charge disproportion along the c-axis in good agreement with the experiment. We also show how the effective $U$ can be calculated within the augmented plane wave methods

C and S induces changes in the electronic and geometric structure of Pd(533) and Pd(320)

We have performed ab initio electronic structure calculations of C and S adsorption on two vicinal surfaces of Pd with different terrace geometry and width. We find both adsorbates to induce a significant perturbation of the surface electronic and geometric structure of Pd(533) and Pd(320). In particular C adsorbed at the bridge site at the edge of a Pd chain in Pd(320) is found to penetrate the surface to form a sub-surface structure. The adsorption energies show almost linear dependence on the number of adsorbate-metal bonds, and lie in the ranges of 5.31eV to 8.58eV for C and 2.89eV to 5.40eV for S. A strong hybridization between adsorbate and surface electronic states causes a large splitting of the bands leading to a drastic decrease in the local densities of electronic states at the Fermi-level for Pd surface atoms neighboring the adsorbate which may poison catalytic activity of the surface. Comparison of the results for Pd(533) with those obtained earlier for Pd(211) suggests the local character of the impact of the adsorbate on the geometric and electronic structures of Pd surfaces.Comment: 14 pages 9 figs, Accepted J. Phys: Conden

Einstein-Weyl structures and Bianchi metrics

We analyse in a systematic way the (non-)compact four dimensional Einstein-Weyl spaces equipped with a Bianchi metric. We show that Einstein-Weyl structures with a Class A Bianchi metric have a conformal scalar curvature of constant sign on the manifold. Moreover, we prove that most of them are conformally Einstein or conformally K\"ahler ; in the non-exact Einstein-Weyl case with a Bianchi metric of the type $VII_0, VIII$ or $IX$, we show that the distance may be taken in a diagonal form and we obtain its explicit 4-parameters expression. This extends our previous analysis, limited to the diagonal, K\"ahler Bianchi $IX$ case.Comment: Latex file, 12 pages, a minor modification, accepted for publication in Class. Quant. Gra

Thermodynamics, strange quark matter, and strange stars

Because of the mass density-dependence, an extra term should be added to the expression of pressure. However, it should not appear in that of energy according to both the general ensemble theory and basic thermodynamic principle. We give a detail derivation of the thermodynamics with density-dependent particle masses. With our recently determined quark mass scaling, we study strange quark matter in this new thermodynamic treatment, which still indicates a possible absolute stability as previously found. However, the density behavior of the sound velocity is opposite to the previous finding, but consistent with one of our recent publication. We have also studied the structure of strange stars using the obtained equation of state.Comment: 6 pages, 6 PS figures, REVTeX styl

Development of a hard X-ray split-and-delay line and performance simulations for two-color pump-probe experiments at the European XFEL

This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Review of Scientific Instruments 89, 063121 (2018) and may be found at https://doi.org/10.1063/1.5027071.A hard X-ray Split-and-Delay Line (SDL) under construction for the Materials Imaging and Dynamics station at the European X-Ray Free-Electron Laser (XFEL) is presented. This device aims at providing pairs of X-ray pulses with a variable time delay ranging from −10 ps to 800 ps in a photon energy range from 5 to 10 keV for photon correlation and X-ray pump-probe experiments. A custom designed mechanical motion system including active feedback control ensures that the high demands for stability and accuracy can be met and the design goals achieved. Using special radiation configurations of the European XFEL’s SASE-2 undulator (SASE: Self-Amplified Spontaneous Emission), two-color hard x-ray pump-probe schemes with varying photon energy separations have been proposed. Simulations indicate that more than 109 photons on the sample per pulse-pair and up to about 10% photon energy separation can be achieved in the hard X-ray region using the SDL.BMBF, 05K13KT4, Verbundprojekt FSP 302 - Freie-Elektronen-Laser: Nanoskopische Systeme. Teilprojekt 1: Split-and-Delay Instrument für die European XFEL Beamline Materials Imaging and DynamicsBMBF, 05K16BC1, Split-and-Delay Instrument für die European XFEL Beamline Materials Imaging and Dynamic

Compact Einstein-Weyl four-dimensional manifolds

We look for four dimensional Einstein-Weyl spaces equipped with a regular Bianchi metric. Using the explicit 4-parameters expression of the distance obtained in a previous work for non-conformally-Einstein Einstein-Weyl structures, we show that only four 1-parameter families of regular metrics exist on orientable manifolds : they are all of Bianchi $IX$ type and conformally K\"ahler ; moreover, in agreement with general results, they have a positive definite conformal scalar curvature. In a Gauduchon's gauge, they are compact and we obtain their topological invariants. Finally, we compare our results to the general analyses of Madsen, Pedersen, Poon and Swann : our simpler parametrisation allows us to correct some of their assertions.Comment: Latex file, 13 pages, an important reference added and a critical discussion of its claims offered, others minor modification

Nucleation of quark matter bubbles in neutron stars

The thermal nucleation of quark matter bubbles inside neutron stars is examined for various temperatures which the star may realistically encounter during its lifetime. It is found that for a bag constant less than a critical value, a very large part of the star will be converted into the quark phase within a fraction of a second. Depending on the equation of state for neutron star matter and strange quark matter, all or some of the outer parts of the star may subsequently be converted by a slower burning or a detonation.Comment: 13 pages, REVTeX, Phys.Rev.D (in press), IFA 93-32. 5 figures (not included) available upon request from [email protected]

Solving the m-mixing problem for the three-dimensional time-dependent Schr\"{o}dinger equation by rotations: application to strong-field ionization of H2+

We present a very efficient technique for solving the three-dimensional time-dependent Schrodinger equation. Our method is applicable to a wide range of problems where a fullly three-dimensional solution is required, i.e., to cases where no symmetries exist that reduce the dimensionally of the problem. Examples include arbitrarily oriented molecules in external fields and atoms interacting with elliptically polarized light. We demonstrate that even in such cases, the three-dimensional problem can be decomposed exactly into two two-dimensional problems at the cost of introducing a trivial rotation transformation. We supplement the theoretical framework with numerical results on strong-field ionization of arbitrarily oriented H2+ molecules.Comment: 5 pages, 4 figure