arXiv subjects

Evgenia A. Tereshina-Chitrova

Publications and source records attributed to Evgenia A. Tereshina-Chitrova.

5 recordsLinked to original sources

arXiv2026

Dynamical Valence Fluctuations and Magnetic Anisotropy in Sm(Co,Cu)$_5$

The magnetic properties of Sm-based intermetallics are governed by a delicate interplay between localized $4f$ states, exchange interactions, and valence fluctuations, yet the role of dynamical $4f$ correlations remains poorly understood. Here we investigate the electronic structure and magnetic anisotropy of SmCo$_5$ and SmCu$_5$ using self-consistent DFT+$U$(ED), which explicitly treats dynamical fluctuations of the Sm $4f$ shell. We find that SmCo$_5$ exhibits pronounced Sm$^{2+}$--Sm$^{3+}$ valence fluctuations, with the $4f$ ground state dominated by $f^5$ and $f^6$ configurations. The resulting dynamical $4f$ correlations yield near compensation of the Sm spin and orbital moments and provide a quantitative description of the electronic structure, magnetic moments, and large uniaxial magnetic anisotropy of SmCo$_5$. Upon replacing Co with Cu, the balance shifts toward the $f^6$ configuration, with substantial changes in the Sm spin and orbital moments. In SmCu$_5$, this evolution of the $4f$ configuration is accompanied by a pronounced reduction of both the total magnetic moment and magnetic anisotropy. These results demonstrate that dynamical $4f$ valence fluctuations are essential for understanding the contrasting magnetic properties of SmCo$_5$ and SmCu$_5$ and provide a microscopic framework for describing magnetic anisotropy upon Co to Cu substitution in Sm(Co,Cu)$_5$.

cond-mat.str-el↗

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↗

arXiv2026

Magnetic anisotropy and intermediate valence in CeCo$_5$ ferromagnet

The intermediate valence of Ce in CeCo$_5$ challenges standard density functional theory (DFT) and static DFT+$U$ approaches, which fail to capture its magnetic properties. By combining DFT+$U$ with exact diagonalization of the Anderson impurity model for the Ce 4$f$ shell, we find a substantial reduction of Ce spin and orbital moments, consistent with DFT+DMFT, arising from Ce$^{4+}$ - Ce$^{3+}$ valence fluctuations. The total magnetic moment of 6.70 $μ_B$ agrees with experiment, and the calculated $4f$ density of states reproduces photoemission and Bremsstrahlung isochromat spectra. The uniaxial magnetic anisotropy energy reaches 4.8 meV/f.u. when Coulomb correlations on both Ce 4$f$ and Co 3$d$ shells are included, in very good agreement with experimental data. These results highlight the importance of dynamical correlations and provide guidance for exploring high-performance, low-rare-earth-content permanent magnets.

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 μB/U, dominated by the orbital contribution (μL ~ 1.4 μB, μS ~ -0.5 μB), 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↗