First-principles prediction of spin-polarized multiple dirac rings in manganese fluoride

Jiao, Yalong and Ma, Fengxian and Zhang, Chunmei and Bell, John and Sanvito, Stefano and Du, Aijun (2017) First-principles prediction of spin-polarized multiple dirac rings in manganese fluoride. Physical Review Letters, 119 (1):016403. ISSN 0031-9007

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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.

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Item Type: Article (Commonwealth Reporting Category C)
Refereed: Yes
Item Status: Live Archive
Additional Information: Published version deposited in accordance with the copyright policy of the publisher.
Faculty/School / Institute/Centre: No Faculty
Faculty/School / Institute/Centre: No Faculty
Date Deposited: 22 Sep 2020 23:49
Last Modified: 24 Sep 2020 06:18
Uncontrolled Keywords: calculations; fluorine compounds; magnetoelectronics; manganese; transition metal compounds
Fields of Research (2008): 09 Engineering > 0904 Chemical Engineering > 090499 Chemical Engineering not elsewhere classified
09 Engineering > 0912 Materials Engineering > 091205 Functional Materials
Fields of Research (2020): 40 ENGINEERING > 4004 Chemical engineering > 400499 Chemical engineering not elsewhere classified
40 ENGINEERING > 4016 Materials engineering > 401605 Functional materials
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