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Register a new user$C_n$-symmetric higher-order topological crystalline insulators in atomically thin transition-metal dichalcogenides
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Based on first-principles calculations and symmetry analysis, we predict atomically thin ($1-N$ layers) 2H group-VIB TMDs $MX_2$ ($M$ = Mo, W; $X$ = S, Se, Te) are large-gap higher-order topological crystalline insulators protected by $C_3$ 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 ($1.64-1.95$ 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 ($1-N$ layers) 2H group-VIB TMDs, and the corresponding quantized fractional charge is the number of layers $N$ divided by 3 modulo integers, which will simply double including spin degree of freedom.
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In this paper, we derive a general formula for the quantized fractional corner charge in two-dimensional C_n-symmetric higher-order topological insulators. We assume that the electronic states can be described by the Wannier functions and that the edges are charge neutral, but we do not assume vanishing bulk electric polarization. We expand the scope of the corner charge formula obtained in previous works by considering more general surface conditions, such as surfaces with higher Miller index and surfaces with surface reconstruction. Our theory is applicable even when the electronic states are largely modulated near system boundaries. It also applies to insulators with non-vanishing bulk polarization, and we find that in such cases the value of the corner charge depends on the surface termination even for the same bulk crystal with C_3 or C_4 symmetry, via a difference in the Wyckoff position of the center of the C_n-symmetric crystal.
In the presence of crystalline symmetries, certain topological insulators present a filling anomaly: a mismatch between the number of electrons in an energy band and the number of electrons required for charge neutrality. In this paper, we show that a filling anomaly can arise when corners are introduced in $C_n$-symmetric crystalline insulators with vanishing polarization, having as consequence the existence of corner-localized charges quantized in multiples of $frac{e}{n}$. We characterize the existence of this charge systematically and build topological indices that relate the symmetry representations of the occupied energy bands of a crystal to the quanta of fractional charge robustly localized at its corners. When an additional chiral symmetry is present, $frac{e}{2}$ corner charges are accompanied by zero-energy corner-localized states. We show the application of our indices in a number of atomic and fragile topological insulators and discuss the role of fractional charges bound to disclinations as bulk probes for these crystalline phases.
Robust fractional charge localized at disclination defects has been recently found as a topological response in $C_{6}$ symmetric 2D topological crystalline insulators (TCIs). In this article, we thoroughly investigate the fractional charge on disclinations in $C_n$ symmetric TCIs, with or without time reversal symmetry, and including spinless and spin-$frac{1}{2}$ cases. We compute the fractional disclination charges from the Wannier representations in real space and use band representation theory to construct topological indices of the fractional disclination charge for all $2D$ TCIs that admit a (generalized) Wannier representation. We find the disclination charge is fractionalized in units of $frac{e}{n}$ for $C_n$ symmetric TCIs; and for spin-$frac{1}{2}$ TCIs, with additional time reversal symmetry, the disclination charge is fractionalized in units of $frac{2e}{n}$. We furthermore prove that with electron-electron interactions that preserve the $C_n$ symmetry and many-body bulk gap, though we can deform a TCI into another which is topologically distinct in the free fermion case, the fractional disclination charge determined by our topological indices will not change in this process. Moreover, we use an algebraic technique to generalize the indices for TCIs with non-zero Chern numbers, where a Wannier representation is not applicable. With the inclusion of the Chern number, our generalized fractional disclination indices apply for all $C_n$ symmetric TCIs. Finally, we briefly discuss the connection between the Chern number dependence of our generalized indices and the Wen-Zee term.
Three-dimensional topological (crystalline) insulators are materials with an insulating bulk, but conducting surface states which are topologically protected by time-reversal (or spatial) symmetries. Here, we extend the notion of three-dimensional topological insulators to systems that host no gapless surface states, but exhibit topologically protected gapless hinge states. Their topological character is protected by spatio-temporal symmetries, of which we present two cases: (1) Chiral higher-order topological insulators protected by the combination of time-reversal and a four-fold rotation symmetry. Their hinge states are chiral modes and the bulk topology is $mathbb{Z}_2$-classified. (2) Helical higher-order topological insulators protected by time-reversal and mirror symmetries. Their hinge states come in Kramers pairs and the bulk topology is $mathbb{Z}$-classified. We provide the topological invariants for both cases. Furthermore we show that SnTe as well as surface-modified Bi$_2$TeI, BiSe, and BiTe are helical higher-order topological insulators and propose a realistic experimental setup to detect the hinge states.
Atomically thin materials such as graphene and monolayer transition metal dichalcogenides (TMDs) exhibit remarkable physical properties resulting from their reduced dimensionality and crystal symmetry. The family of semiconducting transition metal dichalcogenides is an especially promising platform for fundamental studies of two-dimensional (2D) systems, with potential applications in optoelectronics and valleytronics due to their direct band gap in the monolayer limit and highly efficient light-matter coupling. A crystal lattice with broken inversion symmetry combined with strong spin-orbit interactions leads to a unique combination of the spin and valley degrees of freedom. In addition, the 2D character of the monolayers and weak dielectric screening from the environment yield a significant enhancement of the Coulomb interaction. The resulting formation of bound electron-hole pairs, or excitons, dominates the optical and spin properties of the material. Here we review recent progress in our understanding of the excitonic properties in monolayer TMDs and lay out future challenges. We focus on the consequences of the strong direct and exchange Coulomb interaction, discuss exciton-light interaction and effects of other carriers and excitons on electron-hole pairs in TMDs. Finally, the impact on valley polarization is described and the tuning of the energies and polarization observed in applied electric and magnetic fields is summarized.
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