Tunable Magnetic and Topological Phases in EuMnXBi$_2$ (X=Mn, Fe, Co, Zn) Pnictides

TL;DR

This study uses density functional theory to explore how EuMnXBi2 pnictides exhibit tunable magnetic and topological phases, including transitions to Weyl semimetals driven by spin-orbit coupling and chemical substitution.

Contribution

It reveals the magnetic and topological phase tunability in EuMnXBi2 pnictides through SOC and substitution, highlighting their potential as versatile platforms for electronic and magnetic phenomena.

Findings

EuMn2Bi2 is a narrow-gap antiferromagnetic semiconductor.

SOC induces a transition to a Weyl semimetal with Fermi arcs.

Substituting Mn with Fe, Co, and Zn tunes magnetic states from ferrimagnetic to ferromagnetic.

Abstract

We present a comprehensive density functional theory (DFT) study of the electronic, magnetic, and topological properties of the layered pnictides EuMnXBi2 (X = Mn, Fe, Co, Zn), focusing in particular on the relatively unexplored Bi-based member of the EuMn2X2 family. Unlike the well-studied As-, Sb-, and P--based analogues, we show that EuMn2Bi2 stabilizes in a C-type antiferromagnetic ground state with a narrow-gap semiconducting character. Inclusion of spin-orbit coupling (SOC) drives a transition from this trivial antiferromagnetic semiconductor to a Weyl semimetal hosting four symmetry-related Weyl points and robust Fermi arc states. Systematic substitution of Mn with Fe, Co, and Zn further reveals a tunable sequence of magnetic ground states: Fe and Co induce ferrimagnetism with semimetallic behavior, while Zn stabilizes a ferromagnetic semimetal with a large net moment. These findings establish Bi-based EuMnXBi2 pnictides as a versatile platform where magnetic exchange interactions and band topology can be engineered through SOC and chemical substitution. The complex interplay of magnetic interactions and topological effects in the proposed bulk and doped pnictides opens a promising avenue to explore a wide range of electronic and magnetic phenomena. In particular, this study demonstrates that EuMn2Bi2 hosts tunable magnetic and topological phases driven by electron correlations, chemical substitution, and spin-orbit coupling.