By means of the first-principles calculations and magnetic topological quantum chemistry, we demonstrate that the low energy physics in the checkerboard antiferromagnetic (AFM) monolayer FeSe, very close to an AFM topological insulator that hosts rob
ust edge states, can be well captured by a double-degenerate fragile topologically flat band just below the Fermi level. The Wilson loop calculations identify that such fragile topology is protected by the $S_{4z}$ symmetry, which gives rise to an AFM higher-order topological insulator that support the bound state with fractional charge $e/2$ at the sample corner. This is the first reported $S_{4z}$-protected fragile topological material, which provides a new platform to study the intriguing properties of magnetic fragile topological electronic states. Previous observations of the edge states and bound states in checkerboard AFM monolayer FeSe can also be well understood in our work.
Over the last 100 years, the group-theoretic characterization of crystalline solids has provided the foundational language for diverse problems in physics and chemistry. There exist two classes of crystalline solids: nonmagnetic crystals left invaria
nt by space groups (SGs), and solids with commensurate magnetic order that respect the symmetries of magnetic space groups (MSGs). Whereas many of the properties of the SGs, such as their momentum-space corepresentations (coreps) and elementary band coreps (EBRs) were tabulated with relative ease, progress on deriving the analogous properties of the MSGs has largely stalled for the past 70 years due to the complicated symmetries of magnetic crystals. In this work, we complete the 100-year-old problem of crystalline group theory by deriving the small coreps, momentum stars, compatibility relations, and magnetic EBRs (MEBRs) of the single (spinless) and double (spinful) MSGs. We have implemented freely-accessible tools on the Bilbao Crystallographic Server for accessing the coreps of the MSGs, whose wide-ranging applications include neutron diffraction investigations of magnetic structure, the interplay of lattice regularization and (symmetry-enhanced) fermion doubling, and magnetic topological phases, such as axion insulators and spin liquids. Using the MEBRs, we extend the earlier theory of Topological Quantum Chemistry to the MSGs to form a complete, real-space theory of band topology in magnetic and nonmagnetic crystalline solids - Magnetic Topological Quantum Chemistry (MTQC). We then use MTQC to derive the complete set of symmetry-based indicators (SIs) of band topology in all spinful (fermionic) crystals, for which we identify symmetry-respecting bulk and anomalous surface and hinge states. Lastly, using the SIs, we discover several novel non-axionic magnetic higher-order topological insulators.
In flat bands, superconductivity can lead to surprising transport effects. The superfluid mobility, in the form of the superfluid weight $D_s$, does not draw from the curvature of the band but has a purely band-geometric origin. In a mean-field descr
iption, a non-zero Chern number or fragile topology sets a lower bound for $D_s$, which, via the Berezinskii-Kosterlitz-Thouless mechanism, might explain the relatively high superconducting transition temperature measured in magic-angle twisted bilayer graphene (MATBG). For fragile topology, relevant for the bilayer system, the fate of this bound for finite temperature and beyond the mean-field approximation remained, however, unclear. Here, we use numerically exact Monte Carlo simulations to study an attractive Hubbard model in flat bands with topological properties akin to those of MATBG. We find a superconducting phase transition with a critical temperature that scales linearly with the interaction strength. We then investigate the robustness of the superconducting state to the addition of trivial bands that may or may not trivialize the fragile topology. Our results substantiate the validity of the topological bound beyond the mean-field regime and further stress the importance of fragile topology for flat-band superconductivity.
We propose a universal practical approach to realize magnetic second-order topological insulator (SOTI) materials, based on properly breaking the time reversal symmetry in conventional (first-order) topological insulators. The approach works for both
three dimensions (3D) and two dimensions (2D), and is particularly suitable for 2D, where it can be achieved by coupling a quantum spin Hall insulator with a magnetic substrate. Using first-principles calculations, we predict bismuthene on EuO(111) surface as the first realistic system for a 2D magnetic SOTI. We explicitly demonstrate the existence of the protected corner states. Benefited from the large spin-orbit coupling and sizable magnetic proximity effect, these corner states are located in a boundary gap $sim 83$ meV, hence can be readily probed in experiment. By controlling the magnetic phase transition, a topological phase transition between a first-order TI and a SOTI can be simultaneously achieved in the system. The effect of symmetry breaking, the connection with filling anomaly, and the experimental detection are discussed.
The discoveries of intrinsically magnetic topological materials, including semimetals with a large anomalous Hall effect and axion insulators, have directed fundamental research in solid-state materials. Topological quantum chemistry has enabled the
understanding of and the search for paramagnetic topological materials. Using magnetic topological indices obtained from magnetic topological quantum chemistry (MTQC), here we perform a high-throughput search for magnetic topological materials based on first-principles calculations. We use as our starting point the Magnetic Materials Database on the Bilbao Crystallographic Server, which contains more than 549 magnetic compounds with magnetic structures deduced from neutron-scattering experiments, and identify 130 enforced semimetals (for which the band crossings are implied by symmetry eigenvalues), and topological insulators. For each compound, we perform complete electronic structure calculations, which include complete topological phase diagrams using different values of the Hubbard potential. Using a custom code to find the magnetic co-representations of all bands in all magnetic space groups, we generate data to be fed into the algorithm of MTQC to determine the topology of each magnetic material. Several of these materials display previously unknown topological phases, including symmetry-indicated magnetic semimetals, three-dimensional anomalous Hall insulators and higher-order magnetic semimetals. We analyse topological trends in the materials under varying interactions: 60 per cent of the 130 topological materials have topologies sensitive to interactions, and the others have stable topologies under varying interactions. We provide a materials database for future experimental studies and open-source code for diagnosing topologies of magnetic materials.
The electronic properties in a solid depend on the specific form of the wave-functions that represent the electronic states in the Brillouin zone. Since the discovery of topological insulators, much attention has been paid to the restrictions that th
e symmetry imposes on the electronic band structures. In this work we apply two different approaches to characterize all types of bands in a solid by the analysis of the symmetry eigenvalues: the induction procedure and the Smith Decomposition method. The symmetry eigenvalues or irreps of any electronic band in a given space group can be expressed as the superposition of the eigenvalues of a relatively small number of building units (the emph{basic} bands). These basic bands in all the space groups are obtained following a group-subgroup chain starting from P1. Once the whole set of basic bands are known in a space group, all other types of bands (trivial, strong topological or fragile topological) can be easily derived. In particular, we confirm previous calculations of the fragile root bands in all the space groups. Furthermore, we define an automorphism group of equivalences of the electronic bands which allows to define minimum subsets of, for instance, independent basic or fragile root bands.
In the time-reversal-breaking centrosymmetric systems, the appearance of Weyl points can be guaranteed by an odd number of all the even/odd parity occupied bands at eight inversion-symmetry-invariant momenta. Here, based on symmetry analysis and firs
t-principles calculations, we demonstrate that for the time-reversal-invariant systems with $S_4$ symmetry, the Weyl semimetal phase can be characterized by the inequality between a well-defined invariant $eta$ and an $S_4$ indicator $z_2$. By applying this criterion, we find that some candidates, previously predicted to be topological insulators, are actually Weyl semimetals in the noncentrosymmetric space group with $S_4$ symmetry. Our first-principles calculations show that four pairs of Weyl points are located in the $k_{x,y}$ = 0 planes, with each plane containing four same-chirality Weyl points. An effective model has been built and captures the nontrivial topology in these materials. Our strategy to find the Weyl points by using symmetry indicators and invariants opens a new route to search for Weyl semimetals in the time-reversal-invariant systems.
In the present paper, we propose a new way to classify centrosymmetric metals by studying the Zeeman effect caused by an external magnetic field described by the momentum dependent g-factor tensor on the Fermi surfaces. Nontrivial U(1) Berrys phase a
nd curvature can be generated once the otherwise degenerate Fermi surfaces are splitted by the Zeeman effect, which will be determined by both the intrinsic band structure and the structure of g-factor tensor on the manifold of the Fermi surfaces. Such Zeeman effect generated Berrys phase and curvature can lead to three important experimental effects, modification of spin-zero effect, Zeeman effect induced Fermi surface Chern number and the in-plane anomalous Hall effect. By first principle calculations, we study all these effects on two typical material, ZrTe$_5$ and TaAs$_2$ and the results are in good agreement with the existing experiments.
Topological phases in electronic structures contain a new type of topology, called fragile, which can arise, for example, when an Elementary Band Representation (Atomic Limit Band) splits into a particular set of bands. We obtain, for the first time,
a complete classification of the fragile topological phases which can be diagnosed by symmetry eigenvalues, to find an incredibly rich structure which far surpasses that of stable/strong topological states. We find and enumerate all hundreds of thousands of different fragile topological phases diagnosed by symmetry eigenvalues (available at http://www.cryst.ehu.es/html/doc/FragileRoots.pdf), and link the mathematical structure of these phases to that of Affine Monoids in mathematics. Furthermore, we predict and calculate, for the first time, (hundred of realistic) materials where fragile topological bands appear, and show-case the very best ones.
Quasiparticles and collective modes are two fundamental aspects that characterize a quantum matter in addition to its ground state features. For example, the low energy physics for Fermi liquid phase in He-III was featured not only by Fermionic quasi
particles near the chemical potential but also by fruitful collective modes in the long-wave limit, including several different sound waves that can propagate through it under different circumstances. On the other hand, it is very difficult for sound waves to be carried by the electron liquid in the ordinary metals, due to the fact that long-range Coulomb interaction among electrons will generate plasmon gap for ordinary electron density fluctuation and thus prohibits the propagation of sound waves through it. In the present paper, we propose a unique type of acoustic collective modes in Weyl semimetals under the magnetic field called chiral zero sound. The chiral zero sound can be stabilized under so-called chiral limit, where the intra-valley scattering time is much shorter than the inter-valley one, and only propagates along an external magnetic field for Weyl semimetals with multiple-pairs of Weyl points. The sound velocity of the chiral zero sound is proportional to the field strength in the weak field limit, whereas it oscillates dramatically in the strong field limit, generating an entirely new mechanism for quantum oscillations through the dynamics of neutral bosonic excitation, which may manifest itself in the thermal conductivity measurements under magnetic field.
