Block excitonic condensate at n=3.5 in a spin-orbit coupled t2g multiorbital Hubbard model

Kaushal, Nitin; Nocera, Alberto; Alvarez, Gonzalo; Moreo, Adriana; Dagotto, Elbio

doi:10.1103/PhysRevB.99.155115

Title: Block excitonic condensate at $n = 3.5$ in a spin-orbit coupled $t_{2 g}$ multiorbital Hubbard model

Journal Article · Mon Apr 08 00:00:00 EDT 2019 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.99.155115· OSTI ID:1542205

Kaushal, Nitin ^[1]; Nocera, Alberto ^[2]; Alvarez, Gonzalo ^[3]; Moreo, Adriana ^[1]; Dagotto, Elbio ^[1]

Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division; Univ. of British Columbia, Vancouver, BC (Canada). Quantum Matter Inst.
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences. Computational Science and Engineering Division

Theoretical studies recently predicted the condensation of spin-orbit excitons at momentum $$q={\pi}$$ in $${t}_{2g}^{4}$$ spin-orbit coupled three-orbital Hubbard models at electronic density $n=4$. In parallel, experiments involving iridates with noninteger valence states for the Ir ions are starting to attract considerable attention. Using the density matrix renormalization group technique we present evidence for the existence of an 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 $${\lambda}$$ couplings, we found an excitonic condensate at the unexpected momentum $$q={\pi}/2$$ involving $${j}_{\mathrm{eff}}=3/2,m=\pm{}1/2$$, and $${j}_{\mathrm{eff}}=1/2,m=\pm{}1/2$$ bands in the triplet channel, coexisting with an also unexpected block magnetic order. We also present the entire $${\lambda}$$ vs $$U$$ phase diagram, at a fixed and robust Hund coupling. Interestingly, this new “block excitonic phase” is present even at large values of $${\lambda}$$, 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.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1542205

Alternate ID(s):: OSTI ID: 1505667

Journal Information:: Physical Review B, Vol. 99, Issue 15; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 6 works

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Title: Block excitonic condensate at n = 3.5 in a spin-orbit coupled t 2 g multiorbital Hubbard model

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Title: Block excitonic condensate at $n = 3.5$ in a spin-orbit coupled $t_{2 g}$ multiorbital Hubbard model