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Three dimensional materials with strong spin-orbit coupling and magneticinteractions represent an opportunity to realize a variety of rare andpotentially useful topological phases. In this work, we use first principlescalculations to show that the recently synthesized material Bi2MnSe4 displays acombination of band inversion and magnetic interactions, leading to severaltopological phases. Bi2PbSe4, also studied, also displays band inversion and isa topological insulator. In bulk form, the ferromagnetic phase of Bi2MnSe4 iseither a nodal line or Weyl semimetal, depending on the direction of the spins.When the spins are arranged in a layered antiferromagnetic configuration, thecombination of time reversal plus a partial translation is a new symmetry, andthe material instead becomes an antiferromagnetic topological insulator.However, the intrinsic TRS breaking at the surface of Bi2MnSe4 removes thetypical Dirac cone feature, allowing the observation of the half-integerquantum anomalous Hall effect (AHC). Furthermore, we show that in thin filmform, for some thicknesses, Bi2MnSe4 becomes a Chern insulator with a band gapof up to 58 meV. This combination of properties in a stoichiometric magneticmaterial makes Bi2MnSe4 an excellent candidate for displaying robusttopological behavior.

Prediction of Weyl semimetal, AFM topological insulator, nodal line semimetal, and Chern insulator phases in Bi2MnSe4