Optical properties and electronic structure of the nonmetallic metal FeCrAs

TL;DR

This study investigates the optical and electronic properties of FeCrAs, revealing anisotropic metallic behavior, non-metallic resistivity due to increased scattering, and potential spin-phonon coupling, with insights into its complex band structure and scattering mechanisms.

Contribution

It provides a detailed analysis of FeCrAs's optical conductivity, band structure, and scattering rates, highlighting the non-metallic resistivity origin and the role of Hund's coupling and spin-phonon interactions.

Findings

Optical conductivity shows anisotropic metallic character at room temperature.

Non-metallic resistivity is due to increased scattering rates, not carrier loss.

Spectral weight transfer near $T_N$ suggests complex electronic interactions.

Abstract

The complex optical properties of a single crystal of hexagonal FeCrAs ($T_N \simeq 125$ K) have been determined above and below $T_N$ over a wide frequency range in the planes (along the $b$ axis), and along the perpendicular ($c$ axis) direction. At room temperature, the optical conductivity $\sigma_1(\omega)$ has an anisotropic metallic character. The electronic band structure reveals two bands crossing the Fermi level, allowing the optical properties to be described by two free-carrier (Drude) contributions consisting of a strong, broad component and a weak, narrow term that describes the increase in $\sigma_1(\omega)$ below $\simeq 15$ meV. The dc-resistivity of FeCrAs is ``non-metallic'', meaning that it rises in power-law fashion with decreasing temperature, without any signature of a transport gap. In the analysis of the optical conductivity, the scattering rates for both Drude contributions track the dc-resistivity quite well, leading us to conclude that the non-metallic resistivity of FeCrAs is primarily due to a scattering rate that increases with decreasing temperature, rather than the loss of free carriers. The power law $\sigma_1(\omega) \propto \omega^{-0.6}$ is observed in the near-infrared region and as $T\rightarrow T_N$ spectral weight is transferred from low to high energy ($\gtrsim 0.6$ eV); these effects may be explained by either the two-Drude model or Hund's coupling. We also find that a low-frequency in-plane phonon mode decreases in frequency for $T < T_N$, suggesting the possibility of spin-phonon coupling.