Noncentrosymmetric compensated half-metal hosting pure spin Weyl nodes, triple nodal points, nodal loops, and nexus fermions

Abstract

Materials containing multiple topological characteristics become more exotic when combined with noncentrosymmetric crystal structures and unusual magnetic phases such as the compensated half-metal state, which is gapped in one spin direction and conducting in the other. First-principles calculations reveal these multiple topological features in the compensated half-metal Cr2CoAl having neither time-reversal nor inversion symmetries. In the absence of (minor) spin-orbit coupling (SOC), there are (1) a total of 12 pairs of magnetic Weyl points, (2) three distinct sets of triple nodal points near the Fermi level that are (3) interconnected with six symmetry-related nodal lines. This combination gives rise to fully spin polarized nexus fermions, in a system with broken time-reversal symmetry but negligible macroscopic magnetic field. The observed high Curie temperature of 750 K and calculated SOC hybridization mixing of several meV should make these nexus fermions readily measurable. Unlike topological features discussed for other Heuslers which emphasize their strong ferromagnetism, this compensated half-metal is impervious to typical magnetic fields, thus providing a complementary set of experimental phenomena. Making use of the soft calculated magnetic state, large magnetic fields can be used to rotate the direction of magnetism, during which certain topological features will evolve. Our results suggest that these features may be common in inverse-Heusler systems, particularly the isostructural and isovalent Ga and In analogs.