Prediction of a room-temperature eight-coordinate two-dimensional topological insulator: penta-RuS4 monolayer
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Abstract
Abstract We predict a stable eight-coordinate two-dimensional RuS4 monolayer, with a trilayer S–Ru–S and pentagonal rings tiling configuration by first-principles calculations. This monolayer exhibits unique anisotropic quadratic energy dispersion with two Dirac points emerging at the high-symmetric Γ point. When the spin-orbit coupling is included, a large nontrivial energy gap (70 meV) appears near the Fermi level. The topological nature of RuS4 monolayer is also confirmed by the nontrivial Z2 invariant and gapless edge states. A four-band tight-binding model is further proposed, which reveals that the topological states arise from the indirect interaction of the Ru-dxz and dyz orbitals.
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Research context
OpenAlex topics: Topological Materials and Phenomena · 2D Materials and Applications · Advanced Condensed Matter Physics
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References (41)
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