arXiv subjects

Thomas Gouder

Publications and source records attributed to Thomas Gouder.

6 recordsLinked to original sources

arXiv2026

Electronic Structure of UGe$_{2\pm x}$ Thin Films from Photoelectron Spectroscopy

Uranium digermanide UGe$_2$, the first ferromagnetic superconductor, represents a key composition in the U-Ge system dominated by U-5$f$ states. To examine the impact of controlled stoichiometric deviations on the electronic structure, UGe$_{2\pm x}$ thin films ($0 \le x \le 1$) were prepared by triode sputtering and studied on pristine surfaces by X-ray (XPS) and Ultraviolet (UPS) photoelectron spectroscopy. XPS and UPS reveal a robust metallic valence band with a dominant U-5$f$ contribution at the Fermi level and a broad incoherent feature at higher binding energies, without qualitative changes in spectral line shape across the composition range. The experimental spectrum of UGe$_2$ thin films is well reproduced by DFT+U(ED) valence-band calculations combining density functional theory with exact diagonalization of the multiconfigurational U-5$f$ shell. These results demonstrate that the overall U-Ge electronic framework of UGe$_2$ thin films remains resilient to moderate stoichiometric deviations, providing a reliable electronic baseline for future studies of interface- and heterostructure-driven phenomena in uranium-based systems.

cond-mat.str-el↗

arXiv2025

Spin and Orbital Magnetism in UH2 Thin Films Studied by X-ray Magnetic Circular Dichroism

Uranium dihydride UH2 is a metastable phase unknown in bulk form but accessible through thin-film synthesis. We prepared UH2 films by reactive dc sputtering on CaF2(001) or Si(001) substrates, the latter equipped with a Mo buffer layer to suppress a U-Si interdiffusion. On CaF2, UH2 adopts the fluorite-type structure with a near-[1 1 1] out-of-plane texture, four rotational domains, and a lattice parameter a = 539 +- 3 pm without measurable strain, whereas the Mo-buffered film is polycrystalline. X-ray photoelectron spectroscopy confirmed complete hydrogenation and minimal oxidation. Magnetization and XMCD measurements show ferromagnetic ordering with Curie temperatures of 120-130 K and a uranium 5f moment of 0.9 {\mu}B/U, dominated by the orbital contribution ({\mu}L ~ 1.4 {\mu}B, {\mu}S ~ -0.5 {\mu}B), in a good agreement with GGA+U computations, which otherwise overestimate absolute values of the spin and orbital components. The slightly reduced moment in thinner CaF2-supported films is attributed to surface U(IV) species. These results demonstrate that thin-film synthesis enables stabilization of UH2 and direct probing of 5f magnetism, opening pathways toward higher uranium hydrides and interface-engineered actinide systems.

cond-mat.mtrl-sci↗

arXiv2022

Synthesis and physical properties of uranium thin-film hydrides UH2 and \b{eta}-UH3

Formation of thin uranium hydrides films, UH2 and \b{eta}-UH3, synthesized by a reactive dc sputtering of uranium metal, was explored using variable deposition conditions. Obtained stable oxygen-free hydride films were studied by a variety of methods, both in situ (photoelectron spectroscopy - XPS), and ex-situ (x-ray diffraction - XRD, transmission electron microscopy - TEM), electrical resistivity, and magnetometry). Both types of hydrides are ferromagnetic, the Curie temperatures of UH2 and \b{eta}-UH3 are approx. 120 and 170 K, respectively. Ferromagnetism in the thin films is robust and does not depend on structure details while electrical resistivity data reflect disorder in both types of hydrides.

cond-mat.mtrl-sci↗

arXiv2020

Size Dependence of Lattice Parameter and Electronic Structure in CeO 2 Nanoparticles

Intrinsic properties of a compound (e.g., electronic structure, crystallographic structure, optical and magnetic properties) define notably its chemical and physical behavior. In the case of nanomaterials, these fundamental properties depend on the occurrence of quantum mechanical size effects and on the considerable increase of the surface to bulk ratio. Here, we explore the size dependence of both crystal and electronic properties of CeO2 nanoparticles (NPs) with different sizes by state-of-the art spectroscopic techniques. X-ray diffraction, X-ray photoelectron spectroscopy, and high-energy resolution fluorescence-detection hard X-ray absorption near-edge structure (HERFD-XANES) spectroscopy demonstrate that the as-synthesized NPs crystallize in the fluorite structure and they are predominantly composed of CeIV ions. The strong dependence of the lattice parameter with the NPs size was attributed to the presence of adsorbed species at the NPs surface thanks to Fourier transform infrared spectroscopy and thermogravimetric analysis measurements. In addition, the size dependence of the t2g states in the Ce LIII XANES spectra was experimentally observed by HERFD-XANES and confirmed by theoretical calculations.

physics.chem-ph↗

arXiv2006

Multiplet effects in the electronic structure of $\delta$-Pu, Am and their compounds

We propose a straightforward and efficient procedure to perform dynamical mean-field (DMFT) calculations on the top of the static mean-field LDA+U approximation. Starting from self-consistent LDA+U ground state we included multiplet transitions using the Hubbard-I approximation, which yields a very good agreement with experimental photoelectron spectra of $\delta$-Pu, Am, and their selected compounds.

cond-mat.mtrl-sci↗

arXiv2006

Electronic structure and non-magnetic character of $δ$-Pu-Am alloys

The {\em around-mean-field} LSDA+U correlated band theory is applied to investigate the electronic and magnetic structure of $fcc$-Pu-Am alloys. Despite a lattice expansion caused by the Am atoms, neither tendency to 5$f$ localization nor formation of local magnetic moments on Pu atoms in Pu-Am alloys are found. The $5f$-manifolds in the alloys are calculated being very similar to a simple weighted superposition of elemental Pu and Am $5f$-states.

cond-mat.mtrl-sci↗