Screening two-dimensional materials with topological flat bands

نویسندگان

چکیده

Topological flat band (TFB) has been proposed theoretically in various lattice models, to exhibit a rich spectrum of intriguing physical behaviors. However, the experimental demonstration (FB) properties severely hindered by lack materials realization. Here, screening from first-principles database, we identify group 2D with TFBs near Fermi level, covering some simple line-graph and generalized FB models. These include Kagome sublattice O TiO2 yielding spin-unpolarized TFB, that V ferromagnetic V3F8 spin-polarized TFB. Monolayer Nb3TeCl7 its counterparts element substitution are found be breathing-Kagome-lattice crystals. The family monolayer III2VI3 compounds TFB representing coloring-triangle model. ReF3, MnF3 MnBr3 all predicted diatomic-Kagome-lattice crystals, transitions induced atomic substitution. Finally, HgF2, CdF2 ZnF2 discovered host dual diamond-octagon lattice. Our findings pave way further exploration eluding properties.

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ژورنال

عنوان ژورنال: Physical Review Materials

سال: 2021

ISSN: ['2476-0455', '2475-9953']

DOI: https://doi.org/10.1103/physrevmaterials.5.084203