RESUMO
The Li 1s core excitation spectra in LiH was studied by means of x-ray Raman scattering (XRS) spectroscopy in a wide range of momentum transfers q. The analysis of the near-edge region of the measured spectra in combination with q-dependent ab initio calculations of XRS spectra based on the Bethe-Salpeter equation (BSE) reveals that the prominent peak at the excitation onset arises from two main contributions, namely a pre-edge peak associated to a p-type core exciton and strong transitions to empty states near the bottom of the conduction band, which is in contrast to previous experimental studies that attributed that feature to a single excitonic peak. The p-like angular symmetry of the core exciton is supported by BSE calculations of the relative contributions to the XRS spectra from monopole and dipole transitions and by the observed decrease of its normalised intensity for increasing momentum transfers. Higher energy spectral features in the measured XRS spectra are well reproduced by BSE, as well as by real-space multiple-scattering calculations.
RESUMO
In the course of an investigation to prepare the hypothetic new double perovskite La(3)Co(2)VO(9) with Co(2+) and V(5+) in octahedral sites, we obtained the new simple perovskite LaCo(0.71(1))V(0.29(1))O(2.97(3)) as the main phase. The pure compound was then synthesized by the citrate decomposition method. The crystal structure was studied by X-ray (PXRD) and powder neutron diffraction (PND). Physical properties were characterized by X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES) and thermogravimetric analysis (TGA). Rietveld refinements were performed in the orthorhombic space group Pnma (#62). Refined cell parameters were a = 5.4762(2) Å, b = 7.7609(2) Å and c = 5.5122(1) Å. Magnetization measurements showed that this perovskite is an antiferromagnet with a Neel temperature of 15 K. At high T the magnetization follows the Curie-Weiss law corrected by temperature independent paramagnetism (TIP) showing an effective magnetic moment of 3.03µ(B) well described by the contribution of Co(2+) (HS), Co(3+) (IS), V(3+) and V(4+) ions. The crystallographic formula was refined by PND and oxidation state distribution was determined by the combination of PND, XAS, TGA and magnetic measurements.
RESUMO
Humic acids (HA) are the main components of soil organic matter which can form complexes with metal ions and other soil and/or water contaminants. Here, we focus on their acid-base properties. HA were extracted from two different soils (Tipic Ustifluvent and Entic Haplustoll) with different vegetation. In this study we use a simple method, differential scanning potentiometry (DSP), to determine HA buffer capacity distribution, apparent dissociation constant values and surface charge development.