Microscopic analysis of the valence transition in tetragonal 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">EuPd</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">Si</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>

Song, Young-Joon; Schulz, Susanne; Kliemt, Kristin; Krellner, C.; Valentí, Roser

doi:10.1103/physrevb.107.075149

Cited by 5 publications

(2 citation statements)

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“…The exchange-correlation contribution was treated using the PBE functional [19]. To deal with the localized nature of Eu 4f orbitals, we introduced a Hubbard U correction (DFT+U) with U = 5 eV [2]. The energy cutoff was set to 500 eV.…”

Section: Ab Initio Calculationsmentioning

confidence: 99%

“…Eu can have two possible valence states; magnetic divalent Eu 2+ (4f 7 ) Eu(II) with a total angular momentum of J = 7/2 and non-magnetic trivalent Eu 3+ (4f 6 ) Eu(III) with J = 0. As a function of temperature, strain, or pressure, a number of Eu-based compounds undergo a valence crossover accompanied by significant volume changes due to the strong coupling of lattice and spin degrees of freedom [1,2]. Here, thin-film induced effects, such as epitaxial clamping, can lead to pronounced changes of the materials' properties if compared to bulk crystals, as was recently shown for EuPd 2 Si 2 , which exhibits a temperature-driven Eu valence transition in bulk crystals that is suppressed in epitaxial thin films due to clamping; thus stabilized Eu(II) state, instead, leads to a magnetic phase transition [3].…”

Section: Introductionmentioning

confidence: 99%

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Strain-induced magnetic anisotropy of multi-domain epitaxial EuPd₂ thin films

Schuck,

Kölsch,

Valadkhani

et al. 2024

J. Phys. Mater.

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Europium intermetallic compounds show a variety of different ground states and anomalous physical propertiesdue to the interactions between the localized 4f electrons and the delocalized electronic states. Europium isalso the most reactive of the rare earth metals which might be the reason why very few works are concernedwith the properties of Eu-based thin films. Here we address the low-temperature magnetic properties offerromagnetic EuPd2 thin films prepared by molecular beam epitaxy. The epitaxial (111)-oriented thin filmsgrow on MgO (100) with eight different domain orientations. We analyze the low-temperature magnetichysteresis behavior by means of micromagnetic simulations taking the multi-domain morphology explicitlyinto account and quantify the magnetic crystal anisotropy contribution. By ab initio calculations we traceback the microscopic origin of the magnetic anisotropy to thin film-induced uniform biaxial strain.

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Section: Ab Initio Calculationsmentioning

confidence: 99%