Non-Fermi-liquid behavior in cubic phase BaRuO${}_3$: A dynamical mean-field study

Abstract

Motivated by the recently synthesized cubic phase BaRuO${}_3$ under high pressure and high temperature, a thorough study has been conducted on its temperature-dependent electronic properties by using the state-of-the-art \textit{ab inito} computing framework of density functional theory combined with dynamical mean-field theory. At ambient condition the cubic phase BaRuO${}_3$ should be a weakly correlated Hund's metal with local magnetic moment. The spin-spin correlation function and local magnetic susceptibility can be well described by the Curie-Weiss law over a wide temperature range. The calculated low-frequency self-energy functions of Ru-4d states apparently deviate from the behaviors predicted by Landau Fermi-liquid theory. Beyond that, the low-frequency optical conductivity can be fitted to a power-law $\Re \sigma (\omega )\sim {\omega }^{-0.98}$, which further confirms the Non-Fermi-liquid metallic state.

6 pages, 4 figures

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• Ferromagnetism and correlation strength in cubic barium ruthenate in comparison to strontium and calcium ruthenate: a dynamical mean field study
• A first principles investigation of cubic BaRuO${}_3$: A Hund's metal
• Coexistance of non-Fermi liquid behavior and bi-quadratic exchange coupling in La-substituted CeGe: Non-linear susceptibility and DFT + DMFT study