First-Principles Prediction of Spin-Polarized Multiple Dirac Rings in Manganese Fluoride

Spin-polarized materials with Dirac features have sparked great scientific interest due to their potential applications in spintronics. But such a type of structure is very rare and none has been fabricated. Here, we investigate the already experimentally synthesized manganese fluoride (MnF₃) as a novel spin-polarized Dirac material by using first-principles calculations. MnF₃ exhibits multiple Dirac cones in one spin orientation, while it behaves like a large gap semiconductor in the other spin channel. The estimated Fermi velocity for each cone is of the same order of magnitude as that in graphene. The 3D band structure further reveals that MnF₃ possesses rings of Dirac nodes in the Brillouin zone. Such a spin-polarized multiple Dirac ring feature is reported for the first time in an experimentally realized material. Moreover, similar band dispersions can be also found in other transition metal fluorides (e.g., CoF₃, CrF₃, and FeF₃). Our results highlight a new interesting single-spin Dirac material with promising applications in spintronics and information technologies