Temperature-driven 5 <i>f</i> localized-itinerant crossover and Dirac fermions in PuCoGa <sub>5</sub>

PuCoGa<sub>5</sub>has attracted significant attention due to its record-breaking superconducting transition temperatureTc(≈ 18.5 K) among known<i>f</i>electron superconductors. We present a comprehensive investigation of the temperature-driven evolution of the electronic structure in the heavy-fermion superconductor PuCoGa<sub>5</sub>using dynamical mean-field theory combined with density functional theory (DFT). Our calculations reproduce key features of experimental photoemission spectroscopy and reveal a pronounced crossover of Pu-5<i>f</i>electrons from localized states at high temperatures to itinerant, coherent heavy quasiparticles at low temperatures. This crossover is unequivocally evidenced by the emergence of a sharp Kondo resonance peak near the Fermi level, a large Fermi surface expansion, and a coherence temperature of 580 K extracted from the electron self-energy functions. Furthermore, we identify a symmetry-protected, fourfold degenerate Dirac node, originating from the<i>s</i>-<i>p<sub>z</sub></i>orbital crossing of Ga electrons. Notably, this Dirac fermion remains robust against strong correlations and temperature-dependent energy shifts, coexisting with the emergent coherent 5<i>f</i>states. Our work underscores PuCoGa<sub>5</sub>as a unique platform where intertwined topology, strong correlations, and valence fluctuations lead to rich quantum phenomena.

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Publication Details

Journal
Journal of Physics Condensed Matter
Published
2026-01-14
DOI
https://doi.org/10.1088/1361-648x/ae3876
Primary Topic
Rare-earth and actinide compounds
Type
article
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article

Temperature-driven 5 f localized-itinerant crossover and Dirac fermions in PuCoGa 5

Haiyan Lu, Li Huang
Journal of Physics Condensed Matter
Rare-earth and actinide compounds
article

Temperature-driven 5 f localized-itinerant crossover and Dirac fermions in PuCoGa 5

Haiyan Lu, Li Huang
article en

Abstract

PuCoGa<sub>5</sub>has attracted significant attention due to its record-breaking superconducting transition temperatureTc(≈ 18.5 K) among known<i>f</i>electron superconductors. We present a comprehensive investigation of the temperature-driven evolution of the electronic structure in the heavy-fermion superconductor PuCoGa<sub>5</sub>using dynamical mean-field theory combined with density functional theory (DFT). Our calculations reproduce key features of experimental photoemission spectroscopy and reveal a pronounced crossover of Pu-5<i>f</i>electrons from localized states at high temperatures to itinerant, coherent heavy quasiparticles at low temperatures. This crossover is unequivocally evidenced by the emergence of a sharp Kondo resonance peak near the Fermi level, a large Fermi surface expansion, and a coherence temperature of 580 K extracted from the electron self-energy functions. Furthermore, we identify a symmetry-protected, fourfold degenerate Dirac node, originating from the<i>s</i>-<i>p<sub>z</sub></i>orbital crossing of Ga electrons. Notably, this Dirac fermion remains robust against strong correlations and temperature-dependent energy shifts, coexisting with the emergent coherent 5<i>f</i>states. Our work underscores PuCoGa<sub>5</sub>as a unique platform where intertwined topology, strong correlations, and valence fluctuations lead to rich quantum phenomena.

Journal of Physics Condensed MatterVol. 38(3)
China Academy of Engineering Physics (CN)
Affordable and clean energy
Openalex Percentile: Top 84%
Rare-earth and actinide compounds
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Temperature-driven 5 <i>f</i> localized-itinerant crossover and Dirac fermions in PuCoGa <sub>5</sub> — Haiyan Lu, Li Huang · Journal of Physics Condensed Matter (2026) | TGRS Research Map | TGRS