Enhanced anomalous Nernst effects in ferromagnetic materials driven by Weyl nodes

TL;DR

This study uses high-throughput first-principles calculations to explore how Weyl nodes influence anomalous Nernst effects in ferromagnetic materials, revealing potential for property tuning via external stimuli.

Contribution

It demonstrates the link between Weyl nodes and enhanced anomalous Nernst effects, and introduces an automated Wannier function construction method for high-throughput property evaluation.

Findings

Weyl nodes near Fermi energy cause singular-like anomalous conductivities.

External stimuli can tailor the anomalous Nernst response.

Automated Wannier functions enable efficient high-throughput calculations.

Abstract

Based on high-throughput first-principles calculations, we evaluated the anomalous Hall and anomalous Nernst conductivities of 266 transition-metal-based ferromagnetic compounds. Detailed analysis based on the symmetries and Berry curvatures reveals that the origin of singular-like behaviour of anomalous Hall/Nernst conductivities can be mostly attributed to the appearance of Weyl nodes or nodal lines located in the proximity of the Fermi energy, which can be further tailored by external stimuli such as biaxial strains and magnetic fields. Moreover, such calculations are enabled by the automated construction of Wannier functions with a success rate of 92%, which paves the way to perform accurate high-throughput evaluation of the physical properties such as the transport properties using the Wannier interpolation