Slave Boson Theory of Orbital Differentiation with Crystal Field Effects: Application to UO2

Nicola Lanatà, Yongxin Yao, Xiaoyu Deng, Vladimir Dobrosavljević, Gabriel Kotliar

Research output: Contribution to journalArticlepeer-review

51 Scopus citations

Abstract

We derive an exact operatorial reformulation of the rotational invariant slave boson method, and we apply it to describe the orbital differentiation in strongly correlated electron systems starting from first principles. The approach enables us to treat strong electron correlations, spin-orbit coupling, and crystal field splittings on the same footing by exploiting the gauge invariance of the mean-field equations. We apply our theory to the archetypical nuclear fuel UO2 and show that the ground state of this system displays a pronounced orbital differentiation within the 5f manifold, with Mott-localized Γ8 and extended Γ7 electrons.

Original languageEnglish (US)
Article number126401
JournalPhysical review letters
Volume118
Issue number12
DOIs
StatePublished - Mar 23 2017

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy

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