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arXiv · 1912.10720

Exploring the exotic f states of prototype compounds CeSb and USb

Haiyan Lu·Qin Liu
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Abstract

To unravel the interplay between the strong electronic correlation and itinerant-localized dual nature in atypical f electron systems, we employed the density functional theory in combination with the single-site dynamical mean-field theory to systematically investigate the electronic structures of CeSb and USb. We find that the 4f states in CeSb are mostly localized which show a weak quasi-particle resonance peak near the Fermi level. Conversely, the 5f electrons in USb display partially itinerant feature, accompanied by mixed-valence behavior and prominent valence state fluctuations. Particularly, the 4f electronic correlations in CeSb are distinctly orbital-selective with strikingly renormalized 4f5/2 states, according to the low-energy behaviors of 4f self-energy functions. It is believed that the strong electronic correlation and fantastic bonding of f states contribute to elucidate the fascinating magnetism.

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Haiyan Lu, Qin Liu. 2019-12-23. Exploring the exotic f states of prototype compounds CeSb and USb. https://doi.org/10.1088/1361-648x%2Fab8150

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