Novel Block Excitonic Condensate at $n=3.5$ in a Spin-Orbit Coupled $t_{2g}$ Multiorbital Hubbard Model

Abstract

Theoretical studies recently predicted the condensation of spin-orbit excitons at momentum $q$=$π$ in $t_{2g}^4$ spin-orbit coupled three-orbital Hubbard models at electronic density $n=4$. In parallel, experiments involving iridates with non-integer valence states for the Ir ions are starting to attract considerable attention. In this publication, using the density matrix renormalization group technique we present evidence for the existence of a novel excitonic condensate at $n=3.5$ in a one-dimensional Hubbard model with a degenerate $t_{2g}$ sector, when in the presence of spin-orbit coupling. At intermediate Hubbard $U$ and spin-orbit $λ$ couplings, we found an excitonic condensate at the unexpected momentum $q$=$π/2$ involving $j_{\textrm{eff}}=3/2,m=\pm1/2$ and $j_{\textrm{eff}}=1/2,m=\pm1/2$ bands in the triplet channel, coexisting with an also unexpected block magnetic order. We also present the entire $λ$ vs $U$ phase diagram, at a fixed and robust Hund coupling. Interestingly, this new `block excitonic phase' is present even at large values of $λ$, unlike the $n=4$ excitonic phase discussed before. Our computational study helps to understand and predict the possible magnetic phases of materials with $d^{3.5}$ valence and robust spin-orbit coupling.