arXiv subjects

José Julio Gutiérrez Moreno

Publications and source records attributed to José Julio Gutiérrez Moreno.

2 recordsLinked to original sources

arXiv2026

Lifetime effects and satellites in the photoelectron spectrum of platinum metal

This work presents a comprehensive investigation of the electronic structure and many-body photoemission effects in metallic platinum using reflection high-energy electron energy-loss spec- troscopy (RHEELS), soft X-ray photoelectron spectroscopy (SXPS), and hard X-ray photoelectron spectroscopy (HAXPES), supported by ab initio calculations. Shallow and deep core state spectra enable the systematic characterisation of intrinsic line-shape asymmetries and satellite structures. Correlation of photoelectron satellites with RHEELS loss features allows the assignment of inter- band transitions, surface and bulk plasmons, plasmonic overtones, and semi-core ionisation losses across the Pt spectrum. Several previously unresolved satellite features and spin-orbit splittings are identified and discussed. Comparison of experimental valence band spectra with orbital-projected densities of states calculated using ab initio density functional theory (DFT) and G0W0 approaches, with and without spin-orbit coupling, demonstrates the critical role of relativistic effects in reproducing the Pt valence electronic structure. Together, these results establish a unified, internally consistent spectroscopic reference for metallic platinum, providing a robust framework for interpreting photoelectron spectra of Pt-containing catalysts, electronic materials, and related 5d transition metal systems.

cond-mat.mtrl-sci↗

arXiv2022

Exceptionally high saturation magnetisation in Eu-doped magnetite stabilised by spin-orbit interaction

The significance of the spin-orbit interaction is very well known in compounds containing heavier elements such as the rare-earth Eu ion. Here, through density functional calculations, we investigated the effect of the spin-orbit interaction on the magnetic ground state of Eu doped magnetite ($\mathrm{Fe_3O_4:Eu_{Fe}}$). By examining all possible spin alignments between Eu and magnetite's Fe, we demonstrate that Eu, which is most stable when doped at the tetrahedral site, adapts a spin almost opposite the substituted Fe. Consequently, because of smaller spin cancellation between the cations on the tetrahedral site ($\mathrm{Fe_{Tet}}$ and $\mathrm{Eu_{Tet}}$) and the cations on the octahedral sites ($\mathrm{Fe_{Oct}}$), $\mathrm{Fe_3O_4:Eu_{Fe}}$ exhibits a maximum saturation magnetisation of 9.451 $μ_B/$f.u. which is significantly larger than that of undoped magnetite (calculated to be 3.929 $μ_B/$f.u.). We further show that this large magnetisation persists through additional electron doping. However, additional hole doping, which may unintentionally occur in Fe deficient magnetite, can reduce the magnetisation to values smaller than that of the undoped magnetite. The results presented here can aid in designing highly efficient magnetically recoverable catalysts for which both magnetite and rare earth dopants are common materials.

cond-mat.mtrl-sci↗