Slave Boson Theory of Orbital Differentiation with Crystal Field Effects: Application to UO_{2}

Phys Rev Lett. 2017 Mar 24;118(12):126401. doi: 10.1103/PhysRevLett.118.126401. Epub 2017 Mar 23.

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 UO_{2} and show that the ground state of this system displays a pronounced orbital differentiation within the 5f manifold, with Mott-localized Γ_{8} and extended Γ_{7} electrons.