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Register a new userTopology invisible to eigenvalues in obstructed atomic insulators
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We consider the extent to which symmetry eigenvalues reveal the topological character of bands. Specifically, we compare distinct atomic limit phases (band representations) that share the same irreducible representations (irreps) at all points in the Brillouin zone and, therefore, appear equivalent in a classification based on eigenvalues. We derive examples where such irrep-equivalent phases can be distinguished by a quantized Berry phase or generalization thereof. These examples constitute a generalization of the Su-Schrieffer-Heeger chain: neither phase is topological, in the sense that localized Wannier functions exist, yet there is a topological obstruction between them. We refer to two phases as Berry obstructed atomic limits if they have the same irreps, but differ by Berry phases. This is a distinct notion from eigenvalue obstructed atomic limits, which differ in their symmetry irreps at some point in the Brillouin zone. We compute exhaustive lists of elementary band representations that are irrep-equivalent, in all space groups, with and without time-reversal symmetry and spin-orbit coupling, and use group theory to derive a set of necessary conditions for irrep-equivalence. Finally, we conjecture, and in some cases prove, that irrep-equivalent elementary band representations that are not equivalent can be distinguished by a topological invariant.
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Topological band theory has achieved great success in the high-throughput search for topological band structures both in paramagnetic and magnetic crystal materials. However, a significant proportion of materials are topologically trivial insulators at the Fermi level. In this paper, we show that, remarkably, for a subset of the topologically trivial insulators, knowing only their electron number and the Wyckoff positions of the atoms we can separate them into two groups: the obstructed atomic insulator (OAI) and the atomic insulator (AI). The interesting group, the OAI, have a center of charge not localized on the atoms. Using the theory of topological quantum chemistry, in this work we first derive the necessary and sufficient conditions for a topologically trivial insulator to be a filling enforced obstructed atomic insulator (feOAI) in the 1651 Shubnikov space groups. Remarkably, the filling enforced criteria enable the identification of obstructed atomic bands without knowing the representations of the band structures. Hence, no ab-initio calculations are needed for the filling enforced criteria, although they are needed to obtain the band gaps. With the help of the Topological Quantum Chemistry website, we have performed a high-throughput search for feOAIs and have found that 957 ICSD entries (638 unique materials) are paramagnetic feOAIs, among which 738 (475) materials have an indirect gap. The metallic obstructed surface states of feOAIs are also showcased by several material examples.
We analyze the topological properties of a chiral ${p}+i{p}$ superconductor for a two-dimensional metal/semimetal with four Dirac points. Such a system has been proposed to realize second-order topological superconductivity and host corner Majorana modes. We show that with an additional $mathsf{C}_4$ rotational symmetry, the system is in an intrinsic higher-order topological superconductor phase, and with a lower and more natural $mathsf{C}_2$ symmetry, is in a boundary-obstructed topological superconductor phase. The boundary topological obstruction is protected by a bulk Wannier gap. However, we show that the well-known nested-Wilson loop is in general unquantized despite the particle-hole symmetry, and thus fails as a topological invariant. Instead, we show that the higher-order topology and boundary-obstructed topology can be characterized using an alternative defect classification approach, in which the corners of a finite sample is treated as a defect of a space-filling Hamiltonian. We establish Dirac+$({p}+i{p})$ as a sufficient condition for second-order topological superconductivity.
We develop a strong coupling approach towards quantum magnetism in Mott insulators for Wannier obstructed bands. Despite the lack of Wannier orbitals, electrons can still singly occupy a set of exponentially-localized but nonorthogonal orbitals to minimize the repulsive interaction energy. We develop a systematic method to establish an effective spin model from the electron Hamiltonian using a diagrammatic approach. The nonorthogonality of the Mott basis gives rise to multiple new channels of spin-exchange (or permutation) interactions beyond Hartree-Fock and superexchange terms. We apply this approach to a Kagome lattice model of interacting electrons in Wannier obstructed bands (including both Chern bands and fragile topological bands). Due to the orbital nonorthogonality, as parameterized by the nearest neighbor orbital overlap $g$, this model exhibits stable ferromagnetism up to a finite bandwidth $Wsim U g$, where $U$ is the interaction strength. This provides an explanation for the experimentally observed robust ferromagnetism in Wannier obstructed bands. The effective spin model constructed through our approach also opens up the possibility for frustrated quantum magnetism around the ferromagnet-antiferromagnet crossover in Wannier obstructed bands.
Topological classification in our previous paper [K. Shiozaki and M. Sato, Phys. Rev. B ${bf 90}$, 165114 (2014)] is extended to nonsymmorphic crystalline insulators and superconductors. Using the twisted equivariant $K$-theory, we complete the classification of topological crystalline insulators and superconductors in the presence of additional order-two nonsymmorphic space group symmetries. The order-two nonsymmorphic space groups include half lattice translation with $Z_2$ flip, glide, two-fold screw, and their magnetic space groups. We find that the topological periodic table shows modulo-2 periodicity in the number of flipped coordinates under the order-two nonsymmorphic space group. It is pointed out that the nonsymmorphic space groups allow $mathbb{Z}_2$ topological phases even in the absence of time-reversal and/or particle-hole symmetries. Furthermore, the coexistence of the nonsymmorphic space group with the time-reversal and/or particle-hole symmetries provides novel $mathbb{Z}_4$ topological phases, which have not been realized in ordinary topological insulators and superconductors. We present model Hamiltonians of these new topological phases and the analytic expression of the $mathbb{Z}_2$ and $mathbb{Z}_4$ topological invariants. The half lattice translation with $Z_2$ spin flip and glide symmetry are compatible with the existence of the boundary, leading to topological surface gapless modes protected by such order-two nonsymmorphic symmetries. We also discuss unique features of these gapless surface modes.
It has been known that an anti-unitary symmetry such as time-reversal or charge conjugation is needed to realize Z2 topological phases in non-interacting systems. Topological insulators and superconducting nanowires are representative examples of such Z2 topological matters. Here we report the first-known Z2 topological phase protected by only unitary symmetries. We show that the presence of a nonsymmorphic space group symmetry opens a possibility to realize Z2 topological phases without assuming any anti-unitary symmetry. The Z2 topological phases are constructed in various dimensions, which are closely related to each other by Hamiltonian mapping. In two and three dimensions, the Z2 phases have a surface consistent with the nonsymmorphic space group symmetry, and thus they support topological gapless surface states. Remarkably, the surface states have a unique energy dispersion with the Mobius twist, which identifies the Z2 phases experimentally. We also provide the relevant structure in the K-theory.
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