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Register a new userTwo-dimensional weak-type topological insulators in inversion symmetric crystals
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The Su-Schrieffer-Heeger (SSH) chain is an one-dimensional lattice that comprises two dimerized sublattices. Recently, Zhu, Prodan, and Ahn (ZPA) proposed in [L. Zhu, E. Prodan, and K. H. Ahn, Phys. Rev. B textbf{99}, 041117 (2019)] that one-dimensional flat bands can occur at topological domain walls of a two-dimensional array of the SSH chains. Here, we newly suggest a two-dimensional topological insulator that is protected by inversion and time-reversal symmetries without spin-orbit coupling. It is shown that the two-dimensional SSH chains realize the proposed topological insulator. Utilizing the first Stiefel-Whitney numbers, a weak type of $mathbb{Z}_2$ topological indices are developed, which identify the proposed topological insulator, dubbed a two-dimensional Stiefel-Whitney insulator (2DSWI). The ZPA model is employed to study the topological phase diagrams and topological phase transitions. It is found that the phase transition occurs via the formation of the massless Dirac points that wind the entire Brillouin zone. We argue that this unconventional topological phase transition is a characteristic feature of the 2DSWI, manifested as the one-dimensional domain wall states. The new insight from our work could help efforts to realize topological flat bands in solid-state systems.
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The bulk electric polarization $P$ of one-dimensional crystalline insulators is defined modulo a polarization quantum $P_q$. The latter is a measurable quantity that depends on the number $n_s$ of sites per unit cell. For two-band models, $n_s=1$ or $2$ and $P_q=g/n_s$ ($g=1$ or $2$ being the spin degeneracy). For inversion-symmetric crystals either $P=0$ or $P_q/2$ mod $P_q$. Depending on the position of the two inversion centers with respect to the ions, three situations arise: bond, site or mixed inversion. As representative two-band examples of these three cases, we study the Su-Schrieffer-Heeger (SSH), charge density wave (CDW) and Shockley models. SSH has a unique phase with $P=0$ mod $g/2$, CDW has a unique phase with $P=g/4$ mod $g/2$, and Shockley has two distinct phases with $P=0$ or $g/2$ mod $g$. In all three cases, as long as inversion symmetry is present, chiral symmetry is found to be irrelevant for $P$. As a generalization of SSH and CDW, we analytically compute $P$ for the RM model and illustrate the role of the unusual $P_q=g/2$ on edge and soliton fractional charges and on adiabatic pumping.
We propose and characterize a new $mathbb{Z}_2$ class of topological semimetals with a vanishing spin--orbit interaction. The proposed topological semimetals are characterized by the presence of bulk one-dimensional (1D) Dirac Line Nodes (DLNs) and two-dimensional (2D) nearly-flat surface states, protected by inversion and time--reversal symmetries. We develop the $mathbb{Z}_2$ invariants dictating the presence of DLNs based on parity eigenvalues at the parity--invariant points in reciprocal space. Moreover, using first-principles calculations, we predict DLNs to occur in Cu$_3$N near the Fermi energy by doping non-magnetic transition metal atoms, such as Zn and Pd, with the 2D surface states emerging in the projected interior of the DLNs. This paper includes a brief discussion of the effects of spin--orbit interactions and symmetry-breaking as well as comments on experimental implications.
One of the hallmarks of topological insulators is the correspondence between the value of its bulk topological invariant and the number of topologically protected edge modes observed in a finite-sized sample. This bulk-boundary correspondence has been well-tested for strong topological invariants, and forms the basis for all proposed technological applications of topology. Here, we report that a group of weak topological invariants, which depend only on the symmetries of the atomic lattice, also induces a particular type of bulk-boundary correspondence. It predicts the presence or absence of states localised at the interface between two inversion-symmetric band insulators with trivial values for their strong invariants, based on the space group representation of the bands on either side of the junction. We show that this corresponds with symmetry-based classifications of topological materials. The interface modes are protected by the combination of band topology and symmetry of the interface, and may be used for topological transport and signal manipulation in heterojunction-based devices.
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.
We have performed a computational screening of topological two-dimensional (2D) materials from the Computational 2D Materials Database (C2DB) employing density functional theory. A full textit{ab initio} scheme for calculating hybrid Wannier functions directly from the Kohn-Sham orbitals has been implemented and the method was used to extract $mathbb{Z}_2$ indices, Chern numbers and Mirror Chern numbers of 3331 2D systems including both experimentally known and hypothetical 2D materials. We have found a total of 46 quantum spin Hall insulators, 7 quantum anomalous Hall insulators and 9 crystalline topological insulators that are all predicted to be dynamically stable. Roughly one third of these were known prior to the screening. The most interesting of the novel topological insulators are investigated in more detail. We show that the calculated topological indices of the quantum anomalous Hall insulators are highly sensitive to the approximation used for the exchange-correlation functional and reliable predictions of the topological properties of these materials thus require methods beyond density functional theory. We also performed $GW$ calculations, which yield a gap of 0.65 eV for the quantum spin Hall insulator PdSe$_2$ in the MoS$_2$ crystal structure. This is significantly higher than any known 2D topological insulator and three times larger than the Kohn-Sham gap.
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