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On Ile de la Possession, as on all the subantarctic islands, major compounds of organic nutrients are provided by avifauna. The presence of Wandering Albatrosses (Diomedea exulans) induces great perturbations in the environment at the site of their nest building activities: physical and chemical modifications of the soil (by removal of litter material for(More)
We report the direct measurement of antiferromagnetic spin polarization at the oxygen sites in the multiferroic TbMn2O5, through resonant soft x-ray magnetic scattering. This supports recent theoretical models suggesting that the oxygen spin polarization is key to the magnetoelectric coupling mechanism. The spin polarization is observed through a resonantly(More)
Resonant X ray scattering has been used to investigate charge localization on the octahedral iron atoms in magnetite below and above the Verwey temperature. We have measured the DAFS spectra of the 002 and 006 "forbidden" Bragg reflections permitted by the anisotropy of the iron anomalous scattering factor. We performed ab initio calculations which are in(More)
Resonant x-ray scattering was used to investigate electronic fluctuations of the octahedral iron atoms in magnetite. We measured the (002) and (006) "forbidden" x-ray diffraction reflections permitted by the anisotropy of the iron anomalous scattering factor. The energy and azimuthal angle dependencies of these reflections, and the polarization analysis,(More)
We report the implementation of a fully relativistic time dependent density functional theory (TDDFT) method for carrying out x-ray absorption spectroscopy calculations for extended systems. This is the first time that a TDDFT simulation of x-ray absorption in extended systems has featured a full potential ground state calculation. We prove that this(More)
We implemented a self-consistent, real-space x-ray absorption calculation within the FDMNES code. We performed the self-consistency within several schemes and identified which one is the most appropriate. We show a method that allows a rigorous setting of the Fermi level and thus an estimation of the energy cutoff for the identification and elimination of(More)
Here we show that the low temperature phase of magnetite is associated with an effective, although fractional, ordering of the charge. Evidence and a quantitative evaluation of the atomic charges are achieved by using resonant x-ray diffraction (RXD) experiments whose results are further analyzed with the help of ab initio calculations of the scattering(More)
The subtle interplay among electronic degrees of freedom (charge and orbital orderings), spin and lattice distortion that conspire at the Verwey transition in magnetite (Fe3O4) is still a matter of controversy. Here, we provide compelling evidence that these electronic orderings are manifested as a continuous phase transition at the temperature where a spin(More)
Accurate modeling of the X-ray absorption near-edge spectra (XANES) is required to unravel the local structure of metal sites in complex systems and their structural changes upon chemical or light stimuli. Two relevant examples are reported here concerning the following: (i) the effect of molecular adsorption on 3d metals hosted inside metal-organic(More)
The geometrical and electronic structure of the arsenious acid molecule As(OH)(3) in aqueous solutions has been investigated by x-ray absorption spectroscopy (XAS) within extended x-ray absorption spectroscopy (EXAFS) and x-ray absorption near edge structure (XANES), using realistic first-principle calculations in the latter case. This investigation was(More)