Quantum Spin Hall Effect in Ta${}_2$M${}_3$Te${}_5$ (M = Pd, Ni)

Abstract

Quantum spin Hall (QSH) effect with great promise for the potential application in spintronics and quantum computing has attracted extensive research interest from both theoretical and experimental researchers. Here, we predict monolayer Ta${}_2$Pd${}_3$Te${}_5$ can be a QSH insulator based on first-principles calculations. The interlayer binding energy in the layered van der Waals compound Ta${}_2$Pd${}_3$Te${}_5$ is 19.6 meV/A${}^2$; thus, its monolayer/thin-film structures could be readily obtained by exfoliation. The band inversion near the Fermi level ($E_F$) is an intrinsic characteristic, which happens between Ta-$5d$ and Pd-$4d$ orbitals without spin-orbit coupling (SOC). The SOC effect opens a global gap and makes the system a QSH insulator. With the $d$-$d$ band-inverted feature, the nontrivial topology in monolayer Ta${}_2$Pd${}_3$Te${}_5$ is characterized by the time-reversal topological invariant ${\mathbb{Z}}_2=1$, which is computed by the one-dimensional (1D) Wilson loop method as implemented in our first-principles calculations. The helical edge modes are also obtained using surface Green's function method. Our calculations show that the QSH state in Ta${}_2{M}_3$Te${}_5$ ($M=$ Pd, Ni) can be tuned by external strain. These monolayers and thin films provide feasible platforms for realizing QSH effect as well as related devices.

arXiv comment11 pages, 12 figures, 1 table

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Cited by in corpus (18)

• All Topological Bands of All Nonmagnetic Stoichiometric Materials
• Topological Materials Discovery from Crystal Symmetry
• Quadrupole topological insulators in Ta2M3Te5 (M= Ni, Pd) monolayers
• Observation of quantum spin Hall states in Ta${}_2$Pd${}_3$Te${}_5$
• A robust and tunable Luttinger liquid in correlated edge of transition-metal second-order topological insulator Ta${}_2$Pd${}_3$Te${}_5$
• Superconductivity in Nb2Pd3Te5 and Chemically-Doped Ta2Pd3Te5
• Spontaneous gap opening and potential excitonic states in an ideal Dirac semimetal Ta${}_2$Pd${}_3$Te${}_5$
• Interfering Josephson diode effect in Ta2Pd3Te5 asymmetric edge interferometer
• Large shift current, $\pi$ Zak phase and unconventional nature in Se and Te
• Evidence for an Excitonic Insulator State in Ta${}_2$Pd${}_3$Te${}_5$
• Large spin Hall conductivity and excellent hydrogen evolution reaction activity in unconventional PtTe1.75 monolayer
• Pressure-induced nontrivial $Z_2$ band topology and superconductivity in transition metal chalcogenide ${\mathrm{Ta}}_2{\mathrm{Ni}}_3{\mathrm{Te}}_5$
• Twisted nodal wires and three-dimensional quantum spin Hall effect in distorted square-net compounds
• Excitonic Instability in Ta2Pd3Te5 Monolayer
• Weak antilocalization in the transition metal telluride Ta${}_2$Pd${}_3$Te${}_5$
• Layer-dependent Raman spectroscopy of ultrathin Ta${}_2$Pd${}_3$Te${}_5$
• Realization of Kane-Mele Model in $X{\mathbf{N}}_4$-Embedded Graphene ($X$=Pt, Ir, Rh, Os)
• Ta2Pd3Te5 topological thermometer