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Based on first-principles calculations and symmetry-based indicator analysis, we find a class of topological crystalline insulators (TCIs) with $C_2$ rotation anomaly in a family of Zintl compounds, including $mathrm{Ba}_{3}mathrm{Cd}_{2}mathrm{As}_{4}$, $mathrm{Ba}_{3}mathrm{Zn}_{2}mathrm{As}_{4}$ and $mathrm{Ba}_{3}mathrm{Cd}_{2}mathrm{Sb}_{4}$. The nontrivial band topology protected by coexistence of $C_2$ rotation symmetry and time-reversal symmetry $T$ leads to two surface Dirac cones at generic momenta on both top and bottom surfaces perpendicular to the rotation axis. In addition, ($d-2$)-dimensional helical hinge states are also protected along the hinge formed by two side surfaces parallel with the rotation axis. We develop a method based on Wilson loop technique to prove the existence of these surface Dirac cones due to $C_2$ anomaly and precisely locate them as demonstrated in studying these TCIs. The helical hinge states are also calculated. Finally, we show that external strain can be used to tune topological phase transitions among TCIs, strong Z$_2$ topological insulators and trivial insulators.
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We show that in the presence of $n$-fold rotation symmetries and time-reversal symmetry, the number of fermion flavors must be a multiple of $2n$ ($n=2,3,4,6$) on two-dimensional lattices, a stronger version of the well-known fermion doubling theorem in the presence of only time-reversal symmetry. The violation of the multiplication theorems indicates anomalies, and may only occur on the surface of new classes of topological crystalline insulators. Put on a cylinder, these states have $n$ Dirac cones on the top and on the bottom surfaces, connected by $n$ helical edge modes on the side surface.
Topological crystalline insulators (TCIs) are insulating materials whose topological property relies on generic crystalline symmetries. Based on first-principles calculations, we study a three-dimensional (3D) crystal constructed by stacking two-dimensional TCI layers. Depending on the inter-layer interaction, the layered crystal can realize diverse 3D topological phases characterized by two mirror Chern numbers (MCNs) ($mu_1,mu_2$) defined on inequivalent mirror-invariant planes in the Brillouin zone. As an example, we demonstrate that new TCI phases can be realized in layered materials such as a PbSe (001) monolayer/h-BN heterostructure and can be tuned by mechanical strain. Our results shed light on the role of the MCNs on inequivalent mirror-symmetric planes in reciprocal space and open new possibilities for finding new topological materials.
Topological crystalline insulators (TCIs) are insulating electronic states with nontrivial topology protected by crystalline symmetries. Recently, theory has proposed new classes of TCIs protected by rotation symmetries ^C$_n$, which have surface rotation anomaly evading the fermion doubling theorem, i.e. n instead of 2n Dirac cones on the surface preserving the rotation symmetry. Here, we report the first realization of the ^C$_2$ rotation anomaly in a binary compound SrPb. Our first-principles calculations reveal two massless Dirac fermions protected by the combination of time-reversal symmetry ^T and ^C$_{2y}$ on the (010) surface. Using angle-resolved photoemission spectroscopy, we identify two Dirac surface states inside the bulk band gap of SrPb, confirming the ^C$_2$ rotation anomaly in the new classes of TCIs. The findings enrich the classification of topological phases, which pave the way for exploring exotic behaviour of the new classes of TCIs.
Two-dimensional higher-order topological insulators can display a number of exotic phenomena such as half-integer charges localized at corners or disclination defects. In this paper, we analyze these phenomena, focusing on the paradigmatic example of the quadrupole insulator with $C_4$ rotation symmetry, and present a topological field theory description of the mixed geometry-charge responses. Our theory provides a unified description of the corner and disclination charges in terms of a physical geometry (which encodes disclinations), and an effective geometry (which encodes corners). We extend this analysis to interacting systems, and predict the response of fractional quadrupole insulators, which exhibit charge $e/2(2k+1)$ bound to corners and disclinations.
In this work, we identify a new class of Z2 topological insulator protected by non-symmorphic crystalline symmetry, dubbed a topological non-symmorphic crystalline insulator. We construct a concrete tight-binding model with the non-symmorphic space group pmg and confirm the topological nature of this model by calculating topological surface states and defining a Z2 topological invariant. Based on the projective representation theory, we extend our discussion to other non-symmorphic space groups that allows to host topological non-symmorphic crystalline insulators.
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