Non-Fermi-liquid behavior in cubic phase BaRuO$_{3}$: A dynamical mean-field study

TL;DR

This study uses advanced computational methods to reveal that cubic phase BaRuO₃ exhibits non-Fermi-liquid metallic behavior with weak correlations and local magnetic moments, deviating from traditional Fermi-liquid theory.

Contribution

It provides the first detailed ab initio dynamical mean-field theory analysis of cubic BaRuO₃'s electronic properties, highlighting its non-Fermi-liquid nature under ambient conditions.

Findings

BaRuO₃ is a weakly correlated Hund's metal.

Spin susceptibility follows Curie-Weiss law.

Self-energy deviates from Fermi-liquid predictions.

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.