LDA+Slave-Boson approach to the correlated electronic structure of the metamagnetic bilayer ruthenate Sr$_3$Ru$_2$O$_7$

TL;DR

This paper combines LDA and RISB methods to study the correlated electronic structure of Sr$_3$Ru$_2$O$_7$, revealing orbital occupations, spin states, and a sensitive quasiparticle feature near the Fermi level related to its metamagnetic behavior.

Contribution

It introduces a realistic three-band model for Sr$_3$Ru$_2$O$_7$ using LDA+RISB, providing new insights into its low-energy electronic structure and metamagnetic properties.

Findings

Identification of correlation-induced band-narrowing and shifting.

Discovery of a sensitive quasiparticle structure near the Fermi level.

Insight into the orbital and spin multiplet contributions to the electronic properties.

Abstract

The combination of the local-density approximation (LDA) with the rotationally invariant slave-boson theory (RISB) is used to investigate the realistic correlated electronic structure of Sr$_3$Ru$_2$O$_7$. From Wannier-downfolding the low-energy band structure to a three-band model for the Ru($t_{2g}$) states, the interacting problem is solved including intra- and inter-orbital Hubbard terms as well as spin-flip and pair-hopping interactions. Therewith it is possible to obtain valuable insight into the orbital occupations, relevant local spin multiplets and the fermiology with increasing correlation strength. Besides generic correlation-induced band-narrowing and -shifting, an intriguing quasiparticle structure close to the Fermi level is found in the neigborhood of the notorious $\gamma_2$ pocket in the Brillouin zone. Along the $\Gamma$$-$$X$ direction in {\bf k}-space, that structure appears very sensitive to electronic self-energy effects. The subtle sensitivity, connected also its manifest multi-orbital character, may put this very low-energy structure in context with the puzzling metamagnetic properties of the compound.