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

Title First-Principles Prediction of Spin-Polarized Multiple Dirac Rings in Manganese Fluoride.
Authors Y. Jiao; F. Ma; C. Zhang; J. Bell; S. Sanvito; A. Du
Journal Phys Rev Lett
DOI 10.1103/PhysRevLett.119.016403
Abstract

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 (MnF_{3}) as a novel spin-polarized Dirac material by using first-principles calculations. MnF_{3} 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 MnF_{3} 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., CoF_{3}, CrF_{3}, and FeF_{3}). Our results highlight a new interesting single-spin Dirac material with promising applications in spintronics and information technologies.

Citation Y. Jiao; F. Ma; C. Zhang; J. Bell; S. Sanvito; A. Du.First-Principles Prediction of Spin-Polarized Multiple Dirac Rings in Manganese Fluoride.. Phys Rev Lett. 2017;119(1):016403. doi:10.1103/PhysRevLett.119.016403

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Fluorine

Fluorine is a Block P, Group 17, Period 2 element. Its electron configuration is [He]2s22p5. The fluorine atom has a covalent radius of 64 pm and its Van der Waals radius is 135 pm. In its elemental form, CAS 7782-41-4, fluorine gas has a pale yellow appearance. Fluorine was discovered by André-Marie Ampère in 1810. It was first isolated by Henri Moissan in 1886.

Manganese

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