Hourglass dispersion is generally believed to be solely protected by nonsymmorphic symmetries, because these symmetries can introduce high-dimensional projective representations. Here, based on symmetry arguments, we propose that the hourglass dispersion can be jointly protected by symmorphic and nonsymmorphic symmetries, instead of the only conventional nonsymmorphic symmetry. Moreover, using first-principles calculations, we realize our proposal in phonon spectra of realistic materials that share an antiperovskite structure with space group \emph{P}4/\emph{nmm}. Importantly, the neck points of these hourglass dispersions trace out two nodal rings tangent to four nodal lines, forming a unique hourglass nodal cage in the bulk Brillouin zone. The Berry phase analysis reveal the nontrivial topology of these nodal rings and nodal lines. Furthermore, the nontrivial surface states and isofrequency surface arcs are visible, facilitating their experimental confirmation of such exotic quasiparticles. Our work not only offers a new insight into the hourglass dispersion, but also expands aspects for studying promising topological quasiparticles in condensed-matter systems.
It was recently shown that nonsymmorphic space group symmetries can protect novel surface states with hourglass-like dispersions. In this paper, we show that such dispersions can also appear in the bulk of three-dimensional (3D) systems which respect nonsymmorphic symmetries. Specifically, we construct 3D lattice models featuring hourglass-like dispersions in the bulk, which are protected by nonsymmorphic and time-reversal symmetries. We call such systems hourglass semimetals, as they have point or line nodes associated with hourglass-like dispersions. Hourglass nodal lines appear in glide-inv…
Recently a nonsymmorphic topological insulator was predicted, where the characteristic feature is the emergence of a "hourglass fermion" surface state protected by the nonsymmorphic symmetry. Such a state has already been observed experimentally. We propose a simple model possessing the hourglass fermion surface state. The model is constructing by stacking the quantum-spin-Hall insulators with the interlayer coupling introduced so as to preserve the nonsymmorphic symmetry and the time reversal symmetry. The Dirac theory is also derived, whose analytical results reproduce the hourglass fermion …
Nonsymmorphic space group symmetries can generate exotic band-crossings in topological metals and semimetals. Here, based on symmetry analysis and first-principles calculations, we reveal rich band-crossing features in the existing layered compounds Ta$_3$SiTe$_6$ and Nb$_3$SiTe$_6$, enabled by nonsymmorphic symmetries. We show that in the absence of spin-orbit coupling (SOC), these three-dimensional (3D) bulk materials possess accidental Dirac loops and essential fourfold nodal lines. In the presence of SOC, there emerges an hourglass Dirac loop---a fourfold degenerate nodal loop, on which ea…
A lattice symmetry, if being nonsymmorphic, is defined by combining a point group symmetry with a fractional lattice translation that cannot be removed by changing the lattice origin. Nonsymmorphic symmetry has a substantial influence on both the connectivity and topological properties of electronic band structures in solid-state quantum materials. In this article, we review how nonsymmorphic crystalline symmetries can drive and further protect the emergence of exotic fermionic quasiparticles, including Dirac, Möbius and hourglass fermions, that manifest as the defining energy band signatures …
Moiré heterostructures hold the promise to provide platforms to tailor strongly correlated and topological states of matter. Here, we theoretically propose the emergence of an effective, rectangular moiré lattice in twisted bilayers of SnS with nonsymmorphic symmetry. Based on first-principles calculations, we demonstrate that strong intrinsic spin-orbit interactions render this tunable platform a moiré semimetal that hosts 2D hourglass fermions protected by time-reversal symmetry $\mathcal{T}$ and the nonsymmorphic screw rotation symmetry $\widetilde{\mathcal{C}}_{2y}$. We show that topologic…
Based on first-principles calculation and analysis of crystal symmetries, we propose a kind of hourglass-like nodal net (HNN) semimetal in centrosymmetric Ag2BiO3 that is constructed by two hourglass-like nodal chains (HNCs) at mutually orthogonal planes in the extended Brillouin zone (BZ) when the weak spin-orbit coupling (SOC) mainly from the 6s orbital of Bi atoms is ignored. The joint point in the nodal net structure is a special double Dirac point located at the BZ corner. Different from previous HNN [Bzdusek et al., Nature 538, 75 (2016)] where the SOC and double groups nonsymmorphic sym…
Hourglass-like band structures protected by nonsymmorphic space group symmetries can appear along high-symmetry lines or in high-symmetry surfaces in the Brillouin zone. In this work, from symmetry analysis, we demonstrate that $n$-hourglass-like band structures, a generalization of hourglass-like band structures, which host a number of Weyl points, are enforced along screw-invariant lines in non-magnetic materials with a single $N$-fold screw axis when spin-orbit coupling is finite, where $n$, a non-unity factor of $N$, denotes the degree of the screw-invariant line. The "standard" $n$-hourgl…
Topological materials host fascinating low dimensional gapless states at the boundary. As a prominent example, helical topological edge states (TESs) of two-dimensional topological insulators (2DTIs) and their stacked three-dimensional (3D) equivalent, weak topological insulators (WTIs), have sparked research enthusiasm due to their potential application in the next generation of electronics/spintronics with low dissipation. Here, we propose layered superconducting material CaSn as a WTI with nontrivial Z2 as well as nodal line semimetal protected by crystalline non-symmorphic symmetry. Our sy…
Topological insulators (TIs) host novel states of quantum matter, distinguished from trivial insulators by the presence of nontrivial conducting boundary states connecting the valence and conduction bulk bands. Up to date, all the TIs discovered experimentally rely on the presence of either time reversal or symmorphic mirror symmetry to protect massless Dirac-like boundary states. Very recently, it has been theoretically proposed that several materials are a new type of TIs protected by nonsymmorphic symmetry, where glide-mirror can protect novel exotic surface fermions with hourglass-shaped d…
Spatial symmetries in crystals are distinguished by whether they preserve the spatial origin. We show how this basic geometric property gives rise to a new topology in band insulators. We study spatial symmetries that translate the origin by a fraction of the lattice period, and find that these nonsymmorphic symmetries protect a novel surface fermion whose dispersion is shaped like an hourglass; surface bands connect one hourglass to the next in an unbreakable zigzag pattern. These exotic fermions are materialized in the large-gap insulators: KHgX (X=As,Sb,Bi), which we propose as the first ma…
We report a polarized Raman scattering study of non-symmorphic topological insulator KHgSb with hourglass-like electronic dispersion. Supported by theoretical calculations, we show that the lattice of the previously assigned space group $P6_3/mmc$ (No. 194) is unstable in KHgSb. While we observe one of two calculated Raman active E$_{2g}$ phonons of space group $P6_3/mmc$ at room temperature, an additional A$_{1g}$ peak appears at 99.5 ~cm$^{-1}$ upon cooling below $T^*$ = 150 K, which suggests a lattice distortion. Several weak peaks associated with two-phonon excitations emerge with this lat…
The orbital basis is natural when one needs to calculate the effect of local interactions or to unravel the role of orbital physics in the response to external probes. In systems with nonsymmorphic point groups, such as the iron-based superconductors, we show that symmetries that emerge in observable response functions at certain wave vectors are absent from generalized susceptibilities calculated with tight-binding Hamiltonians in the orbital basis. Such symmetries are recovered only when the generalized susceptibilities are embeded back to the continuum using appropriate matrix elements betw…
A nodal-line semimetal phase which is enforced by the symmetries of the material is interesting from fundamental and application standpoints. We demonstrate that such a phase of matter can be engineered by a simple method: Introducing vacancies in certain configurations in common symmorphic materials leads to nonsymmorphic polymorphs with symmetry-enforced nodal lines which are immune to symmetry-preserving perturbations, such as spin-orbit coupling. Furthermore, the spectrum acquires also accidental nodal lines with enhanced robustness to perturbations. These phenomena are explained on the ba…
We have performed angle-resolved photoemission spectroscopy of layered ternary telluride Ta3SiTe6 which is predicted to host nodal lines associated with nonsymmorphic crystal symmetry. We found that the energy bands in the valence-band region show Dirac-like dispersions which present a band degeneracy at the R point of the bulk orthorhombic Brillouin zone. This band degeneracy extends one-dimensionally along the whole SR high-symmetry line, forming the nodal lines protected by the glide mirror symmetry of the crystal. We also observed a small band splitting near EF which supports the existence…
Topological semimetals have energy bands near the Fermi energy sticking together at isolated points/lines/planes in the momentum space, which are often accompanied by stable surface states and intriguing bulk topological responses. Although it has been known that certain crystalline symmetries play an important role in protecting band degeneracy, a general recipe for stabilizing the degeneracy, especially in the presence of spin-orbit coupling, is still lacking. Here we show that a class of novel topological semimetals with point/line nodes can emerge in the presence of an off-centered rotatio…
The hourglass fermions in solid-state materials have been attracting significant interest recently. However, realistic two-dimensional (2D) materials with hourglass-shaped band structures are still very scarce. Here, through the first-principles calculations, we identify the monolayer Pb(ClO$_{2}$)$_{2}$ and Sr(ClO$_{2}$)$_{2}$ materials as the new realistic materials platform to realize 2D hourglass Weyl nodal loop. We show that these monolayer materials possess an hourglass Weyl nodal loop circling around the $Γ$ point and Weyl nodal line on the Brillouin zone (BZ) boundary in the absence of…
The discovery of quadrupole topology opens a new horizon in the study of topological phenomena. However, the existing experimental realizations of quadrupole topological insulators in symmorphic lattices with $π$-fluxes often break the protective mirror symmetry. Here, we present a theory for anomalous quadrupole topological insulators in nonsymmorphic crystals without flux, using 2D sonic crystals with $p4gm$ and $p2gg$ symmetry groups as concrete examples. We reveal that the anomalous quadrupole topology is protected by two orthogonal glide symmetries in square or rectangular lattices. The d…
Catalog of Altermagnetism in Magnetic Wallpaper/Space Groups and Nonsymmorphic Altermagnets
Hefei National Laboratory（合肥国家实验室）；School of Emerging Technology, University of Science and Technology of China（中国科学技术大学先进技术学院）；RIKEN Center for Interdisciplinary Theoretical and Mathematical Sciences (iTHEMS), RIKEN（理化学研究所跨学科理论与数学科学中心（iTHEMS））；Department of Physics and Center for Theoretical Physics, National Taiwan University（国立台湾大学物理系暨理论物理中心）；RIKEN Center for Emergent Matter Science (CEMS)（理化学研究所新兴物质科学中心）
Non-symmorphic symmetries protect Dirac line nodes in square net materials. This phenomenon has been most prominently observed in ZrSiS. Here, we systematically study the symmetry-protected nodal fermions that result from different ways of embedding the square net into a larger unit cell. Surprisingly, we find that a nonsymmorphic space group is not a necessary condition for a filling enforced semimetal: symmorphic space groups can also host nodal fermions that are enforced by band folding and electron count, that is, a combination of a particular structural motif combined with electron fillin…
Topological properties and topological superconductivity in real materials have attracted intensive experimental and theoretical attention recently. Based on symmetry analysis and first-principles electronic structure calculations, we predict that $R$RuB$_{2}$ ($R$=Y, Lu) are not only topological superconductor (TSC) candidates, but also own the hybrid hourglass-type Dirac ring which is protected by the nonsymmorphic space group symmetry. Due to the band inversion around the time-reversal invariant $Γ$ point in the Brillouin zone,$R$RuB$_{2}$ also have Dirac topological surface states (TSSs). …
Using topological band theory analysis we show that the nonsymmorphic symmetry operations in hexagonal lattices enforce Weyl points at the screw-invariant high-symmetry lines of the band structure. The corepresentation theory and connectivity group theory show that Weyl points are generated by band crossings in accordion-like and hourglass-like dispersion relations. These Weyl points are stable against weak perturbations and are protected by the screw rotation symmetry. Based on first-principles calculations we found a complete agreement between the topological predicted energy dispersion rela…
Screw rotations in nonsymmorphic space group symmetries induce the presence of hourglass and accordion shape band structures along screw invariant lines whenever spin-orbit coupling is nonnegligible. These structures induce topological enforced Weyl points on the band intersections. In this work we show that the chirality of each Weyl point is related to the representations of the cyclic group on the bands that form the intersection. To achieve this, we calculate the Picard group of isomorphism classes of complex line bundles over the 2-dimensional sphere with cyclic group action, and we show …
We classify insulators by generalized symmetries that combine space-time transformations with quasimomentum translations. Our group-cohomological classification generalizes the nonsymmorphic space groups, which extend point groups by real-space translations, i.e., nonsymmorphic symmetries unavoidably translate the spatial origin by a fraction of the lattice period. Here, we further extend nonsymmorphic groups by reciprocal translations, thus placing real and quasimomentum space on equal footing. We propose that group cohomology provides a symmetry-based classification of quasimomentum manifold…
