Predicted Weyl fermions in magnetic GdBi and GdSb

Abstract

Motivated by the chiral anomaly steering negative longitudinal magnetoresistance in GdBiPt under external magnetic field, we studied the electronic structures of GdBi with paramagnetism, antiferromagnetism and ferromagnetism by first-principles calculations with modified Becke and Johnson local density approximation plus Hubbard [Formula: see text]. Our calculated results reveal that paramagnetic GdBi is semiconducting, while the antiferromagnetic GdBi is a topological nontrivial compensation metal. We also predict the presence of a pair of Weyl fermions in ferromagnetic GdBi and GdSb. The band crossing along the direction of magnetization is protected by the fourfold rotation symmetry, and the topological charge associating with each [Formula: see text] band crossing point is [Formula: see text].