Magnetism, half-metallicity, and topological signatures in FeVPO (x = 0, 0.5, 1, 1.5, 2) materials: a potential class of advanced spintronic materials.

Novel spintronic materials combining both magnetism and nontrivial topological electronic structures have attracted increasing attention recently. Here, we systematically studied the doping effects, magnetism, half-metallicity, and topological properties in the family of FeVPO (x = 0, 0.5, 1, 1.5, 2) compounds. Our results show that FePO takes an antiferromagnetic (AFM) ordering with a zero total magnetic moment. Meanwhile, the material hosts a Dirac nodal line and a Weyl nodal line near the Fermi level. VPO is a ferromagnetic (FM) nodal line half-metal with a 100% spin-polarized Weyl nodal line. After doping, we find that FeVPO, FeVPO and FeVPO all take ferrimagnetic (FiM) ordering, with the Fe and V atoms taking opposite spin directions. Both FeVPO and FeVPO are FiM half-metals. Meanwhile, they show several pairs of fully spin-polarized Weyl points near the Fermi level. FeVPO is a FiM semiconductor with different sizes of band gaps in different spin channels. These FeVPO materials not only provide a good research platform to study the novel properties combining magnetism and nontrivial band topology, but also have promising applications in spintronic applications.