The study of magnetic topological semimetals by first principles calculations

TL;DR

This paper reviews recent computational studies on magnetic topological semimetals, highlighting their classifications, properties, and potential for future research in topological quantum materials.

Contribution

It provides a comprehensive overview of first-principles calculations on various magnetic TSMs, including WSMs, DSMs, and NLSMs, and discusses recent advances and future directions.

Findings

Predicted magnetic WSMs in pyrochlore iridates and HgCr2Se4

Identified magnetic DSMs like CuMnAs and EuCd2As2

Highlighted magnetic NLSMs such as Fe3GeTe2 and LaCl

Abstract

Magnetic topological semimetals (TSMs) are topological quantum materials with broken time-reversal symmetry (TRS) and isolated nodal points or lines near the Fermi level. Their topological properties would typically reveal from the bulk-edge correspondence principle as nontrivial surface states such as Fermi arcs or drumhead states, etc. Depending on the degeneracies and distribution of the nodes in the crystal momentum space, TSMs are usually classified into Weyl semimetals (WSMs), Dirac semimetals (DSMs), nodal-line semimetals (NLSMs), triple-point semimetals (TPSMs), etc. In this review article, we present the recent advances of magnetic TSMs from a computational perspective. We first review the early predicted magnetic WSMs such as pyrochlore iridates and HgCr2Se4, as well as the recently proposed Heusler, Kagome layers, and honeycomb lattice WSMs. Then we discuss the recent developments of magnetic DSMs, especially CuMnAs in Type-III and EuCd2As2 in Type-IV magnetic space groups (MSGs). Then we introduce some magnetic NLSMs that are robust against spin-orbit coupling (SOC), namely Fe3GeTe2 and LaCl (LaBr). Finally, we discuss the prospects of magnetic TSMs and the interesting directions for future research.