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Tuning the Eu valence in EuPd3Bx: pressure versus valence electron count - a combined computational and experimental study

2012/03/08 by M. Schmitt, R. Gumeniuk, Schmitt, M. +19
Physics and Astronomy · #FOS: Physical sciences #Strongly Correlated Electrons (cond-mat.str-el) #cond-mat.str-el

paper · pdf · doi:10.48550/arxiv.1203.1865

arxiv created 2012/03/08 · arxiv updated 2012/03/09

Abstract

In a joint theoretical and experimental study we investigate the pressure dependence of the Eu valence in EuPd3Bx (0 <= x <= 1). Density functional band structure calculations are combined with x-ray absorption and x-ray diffraction measurements under hydrostatic pressures up to 30 GPa. It is observed that the heterogenous mixed-valence state of Eu in EuPd3Bx (x >= 0.2) can be suppressed partially in this pressure range. From the complementary measurements we conclude that the valence change in EuPd3Bx is mainly driven by the number of additional valence electrons due to the insertion of boron, whereas the volume change is a secondary effect. A similar valence change of Eu in Eu1-xLaxPd3 is predicted for x >= 0.4, in line with the suggested electron count scenario.

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