David W. Tam¹, Nicola Colonna^1*, Neeraj Kumar², Cinthia Piamonteze³, Fatima Alarab³, Vladimir Strocov³, Antonio Cervellino⁴, Tom Fennell¹, Dariusz Jakub Gawryluk⁵, Ekaterina Pomjakushina⁵, Yeong-Ah Soh², Michele Kenzelmann¹

1 Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, 5232 Villigen, Switzerland

2 Paul Scherrer Institut, 5232 Villigen, Switzerland

3 Photon Science Division, Paul Scherrer Institut, 5232 Villigen, Switzerland

4 Laboratory for Synchrotron Radiation - Condensed Matter, Paul Scherrer Institut, 5232 Villigen, Switzerland

5 Laboratory for Multiscale Materials Experiments, Paul Scherrer Institute, 5232 Villigen, Switzerland

* Corresponding authors emails: nicola.colonna@psi.ch

DOI10.24435/materialscloud:gh-7e [version v1]

Publication date: Jul 14, 2023

How to cite this record

David W. Tam, Nicola Colonna, Neeraj Kumar, Cinthia Piamonteze, Fatima Alarab, Vladimir Strocov, Antonio Cervellino, Tom Fennell, Dariusz Jakub Gawryluk, Ekaterina Pomjakushina, Yeong-Ah Soh, Michele Kenzelmann, Charge fluctuations in the intermediate-valence ground state of SmCoIn₅, Materials Cloud Archive 2023.111 (2023), https://doi.org/10.24435/materialscloud:gh-7e

Description

The microscopic mechanism of heavy band formation, relevant for unconventional superconductivity in CeCoIn₅ and other Ce-based heavy fermion materials, depends strongly on the efficiency with which f electrons are delocalized from the rare earth sites and participate in a Kondo lattice. Replacing Ce³⁺ (4f 1, J = 5/2) with Sm³⁺ (4f 5, J = 5/2), we show that a combination of crystal field and on-site Coulomb repulsion causes SmCoIn₅ to exhibit a Γ7 ground state similar to CeCoIn5 with multiple f electrons. Remarkably, we also find that with this ground state, SmCoIn₅ exhibits a temperature-induced valence crossover consistent with a Kondo scenario, leading to increased delocalization of f holes below a temperature scale set by the crystal field, Tv ≈ 60 K. Our result provides evidence that in the case of many f electrons, the crystal field remains the most important tuning knob in controlling the efficiency of delocalization near a heavy fermion quantum critical point, and additionally clarifies that charge fluctuations are present and may play a generally important role in the ground state of “115” materials.

Materials Cloud sections using this data

Files

File name	Size	Description
data.tar.gz MD5md5:972757f4745e21859dd22b0c4fc55cb5	30.4 MiB	Archive file containing input/output files and script needed to reproduce the simulation presented in the publication. More information in the README.txt file.
README.txt MD5md5:a35a2ba5a979d6f7cfacbad6548dd5fe	2.3 KiB	Description of the files contained in the data.tar.gz archive

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External references

Keywords

MARVEL Heavy Fermions DFT+U Mixed valence