Ferromagnetic two-dimensional metal-chlorides MCl (M = Sc, Y, and La): Candidates for Weyl nodal line semimetals with small spin-orbit coupling gaps
[Display omitted] •Phase stability and band structure of 2D ferromagnetic metal-chlorides are studied.•They possess excellent material properties.•They show Weyl nodal lines near the Fermi level with small SOC gaps.•The nodal lines show both type-I and type-II band dispersions. Currently, topologica...
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Veröffentlicht in: | Applied surface science 2020-08, Vol.520, p.146376, Article 146376 |
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Sprache: | eng |
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•Phase stability and band structure of 2D ferromagnetic metal-chlorides are studied.•They possess excellent material properties.•They show Weyl nodal lines near the Fermi level with small SOC gaps.•The nodal lines show both type-I and type-II band dispersions.
Currently, topological nodal line semimetals in two-dimensional (2D) materials, especially in ferromagnetic 2D materials, are still in urgent scarcity. Here, we report that 2D metal-chlorides MCl (M = Sc, Y, and La) are a family of such candidate materials. The 2D MCl are dynamic stable and show strong ferromagnetic ordering. They all possess a closed nodal line centering the Γ point in the 2D Brillouin zone. The nodal lines are quite close to the Fermi level with the linear energy range as large as 0.3 eV. Remarkably, the nodal lines identified here are time-reversal-breaking Weyl nodal lines, which are different from those reported previously in nonmagnetic 2D materials. Even more interestingly, we find the nodal lines in MCl monolayers can show both type-I (in LaCl and YCl) and type-II (in ScCl) band dispersions. These nodal lines open small gaps ( |
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ISSN: | 0169-4332 1873-5584 |
DOI: | 10.1016/j.apsusc.2020.146376 |