Quasiparticle multiplets and 5f electronic correlation in prototypical plutonium borides
Haiyan Lu,
Li Huang
Abstract:To elucidate the localized-itinerant dual nature and orbital dependent correlations of Pu-5f valence electrons in plutonium borides (PuB x , x=1, 2, 6, 12), the electronic structures are throughout investigated by using the combination of density functional theory and single-site dynamical mean-field method. We not only reproduce the correlated topological insulator of PuB 6 , but also predict the metallicity in PuB x (x=1, 2, 12). It is found that the momentum-resolved spectral functions, density of states, h… Show more
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