paper

-symmetric higher-order topological crystalline insulators in atomically thin transition-metal dichalcogenides

arXiv:2109.01988 · doi:10.1103/PhysRevB.105.045417

Abstract

Based on first-principles calculations and symmetry analysis, we predict atomically thin ( layers) 2H group-VIB TMDs ( = Mo, W; = S, Se, Te) are large-gap higher-order topological crystalline insulators protected by rotation symmetry. We explicitly demonstrate the nontrivial topological indices and existence of the hallmark corner states with quantized fractional charge for these familiar TMDs with large bulk optical band gaps ( eV for the monolayers), which would facilitate the experimental detection by STM. We find that the well-defined corner states exist in the triangular finite-size flakes with armchair edges of the atomically thin ( layers) 2H group-VIB TMDs, and the corresponding quantized fractional charge is the number of layers divided by 3 modulo integers, which will simply double including spin degree of freedom.

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