LiV2O4: Hund-Assisted Orbital-Selective Mottness

Abstract

We show that the remarkably small Fermi-liquid coherence scale and large effective mass observed in LiV${}_2$O${}_4$ are due to the proximity of a Hund-assisted orbital-selective Mott state. Our work is based on an ab initio dynamical mean-field approach, combining several quantum impurity solvers to capture the physics from high to very low temperature. We find that the Hund coupling plays a crucial role in rearranging the orbital populations and in generating the heavy mass and low coherence scale. The latter is found to be approximately 1-2 Kelvin, even though the most correlated orbital is found to be significantly doped ~10% away from half-filling. A flat quasiparticle band appears near the Fermi level as a result of the strong electronic correlations. Finally, we discuss our results in comparison to experiments.

8 pages, 6 Figures

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• Low-temperature transport in high-conductivity correlated metals: a density-functional plus dynamical mean-field study of cubic perovskites
• Testing the parquet equations and the U(1) Ward identity for real-frequency correlation functions from the multipoint numerical renormalization group
• Hund flat band in a frustrated spinel oxide
• Correlation-driven 3d Heavy Fermion behavior in LiV2O4