Unraveling exotic 5$f$ states and paramagnetic phase of PuSn${}_3$

Abstract

Plutonium-based compounds establish an ideal platform for exploring the interplay between long-standing itinerant-localized 5$f$ states and strongly correlated electronic states. In this paper, we exhaustively investigate the correlated 5$f$ electronic states of PuSn${}_3$ dependence on temperature by means of a combination of the density functional theory and the embedded dynamical mean-field theory. It is found that the spectral weight of narrow 5$f$ band grows significantly and remarkable quasiparticle multiplets appear around the Fermi level at low temperature. A striking $c-f$ hybridization and prominent valence state fluctuations indicate the advent of coherence and itinerancy of 5$f$ states. It is predicted that a 5$f$ localized to itinerant crossover is induced by temperature accompanied by the change in Fermi surface topology. Therefore itinerant 5$f$ states are inclined to take in active chemical bonding, suppressing the formation of local magnetic moment of Pu atoms, which partly elucidates the intrinsic feature of paramagnetic ground state of PuSn${}_3$. Furthermore, the 5$f$ electronic correlations are orbital selective manifested themselves in differentiated band renormalizations and electron effective masses. Consequently, the convincing results remain crucial to our understanding of plutonium-based compounds and promote ongoing research.

arXiv comment9 pages, 7 figures

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Cited by in corpus (2)

• Quasiparticle multiplets and 5f electronic correlation in prototypical plutonium borides
• Novel correlated 5f electronic states in cubic AnSn3 (An=U, Np, Pu) intermetallics