Abstract
AbstractVery diverse Pu compounds exhibit strikingly universal features in their valence-band photoemission (PES) spectra. The conjecture that such features represent the 5f5 final state multiplet has been corroborated by LDA+Hubbard I calculations, meaning that the ground state has a mixed 5f5-5f6 character. Later on, more elaborated DMFT techniques (one crossing approximation, QMC) led to similar conclusions, providing quantitative explanation of such intermeate-valent situation in more details. Analogies in PES spectra of δ-Pu and other Pu systems suggest that the situation envisaged for δ-Pu is relevant for a large group of Pu compounds. Here we show that the around mean field LDA+U in conjunction with the Hubbard I approximation, which describes well the non-magnetic ground state for δ-Pu, captures in reality properties of a large group of Pu (as well as e.g. Am) compounds, reproducing correctly the onset of magnetism and size of magnetic moments.
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