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The temperature-dependent evolution pattern of 5f electrons helps to elucidate the long-standing itinerant-localized dual nature in plutonium-based compounds. In this work, we investigate the correlated electronic states of PuIn3 dependence on temperature by using a combination of the density functional theory and the dynamical mean-field theory. Not only the experimental photoemission spectroscopy is correctly reproduced, but also a possible hidden 5f itinerant-localized crossover is identified. Moreover, it is found that the quasiparticle multiplets from the many-body transitions gradually enhance with decreasing temperature, accompanied by the hybridizations with 5f electrons and conduction bands. The temperature-induced variation of Fermi surface topology suggests a possible electronic Lifshitz transition and the onset of magnetic order at low temperature. Finally, the ubiquitous existence orbital selective 5f electron correlation is also discovered in PuIn3. These illuminating results shall enrich the understanding on Pu-based compounds and serve as critical predictions for ongoing experimental research.
We address the fundamental question of crossover from localized to itinerant state of a paradigmatic heavy fermionmaterial CeIrIn5. The temperature evolution of the one electron spectra and the optical conductivity is predicted from first principles
The physical properties of plutonium and plutonium-based intermetallic compounds are extremely sensitive to temperature, pressure, and chemical alloying. A celebrated example is the high-temperature $delta$ phase plutonium, which can be stabilized at
In heavy-fermion compounds, f electrons show both itinerant and localized behaviour depending on the external conditions, and the hybridization between localized f electrons and itinerant conduction bands gives rise to their exotic properties like he
A quantum critical point (QCP) of the heavy fermion Ce(Ru_{1-x}Rh_x)_2Si_2 (x = 0, 0.03) has been studied by single-crystalline neutron scattering. By accurately measuring the dynamical susceptibility at the antiferromagnetic wave vector k_3 = 0.35 c
We report results from neutron scattering experiments on single crystals of YbBiPt that demonstrate antiferromagnetic order characterized by a propagation vector, $tau_{rm{AFM}}$ = ($frac{1}{2} frac{1}{2} frac{1}{2}$), and ordered moments that align