Multiple software packages currently exist for the computation of bulk topological invariants in both idealized tight-binding models and realistic Wannier tight-binding models derived from density functional theory. Currently, only one package is capable of computing nested Wilson loops and spin-resolved Wilson loops. These state-of-the-art techniques are vital for accurate analysis of band topology. In this paper we introduce BerryEasy, a python package harnessing the speed of graphical processing units to allow for efficient topological analysis of supercells in the presence of disorder and impurities. Moreover, the BerryEasy package has built-in functionality to accommodate use of realistic many-band tight-binding models derived from first-principles.

In two-dimensional topological insulators, a disorder-induced topological phase transition is typically identified with an Anderson localization transition at the Fermi energy. However, in Z2 trivial, spin-resolved topological insulators it is the spectral gap of the spin spectrum, in addition to the bulk mobility gap, which protects the nontrivial topology of the ground state. In this work, we show that these two gaps, the bulk electronic and spin gap, can evolve distinctly on the introduction of quenched short-ranged disorder and that an odd-quantized spin Chern number topologically protects states below the Fermi energy from localization. This decoupling leads to a unique situation in which an Anderson localization transition occurs below the Fermi energy at the topological transition. Furthermore, the presence of topologically protected extended bulk states nontrivial bulk topology typically implies the existence of protected boundary modes. We demonstrate the absence of protected boundary modes in the Hamiltonian and yet the edge modes in the eigenstates of the projected spin operator survive. Our work thus provides evidence that a nonzero spin-Chern number, in the absence of a nontrivial Z2 index, does not demand the existence of protected boundary modes at finite or zero energy.

Recent reports of room-temperature, ambient pressure superconductivity in copper-substituted lead phosphate apatite, commonly referred to as LK99, have prompted numerous theoretical and experimental studies into its properties. As the electron–phonon interaction is a common mechanism for superconductivity, the electron–phonon coupling strength is an important quantity to compute for LK99. In this work, we compare the electron–phonon coupling strength among the proposed compositions of LK99. The results of our study are in alignment with the conclusion that LK99 is a candidate for low-temperature, not room-temperature, superconductivity if electron–phonon interaction is to serve as the mechanism.

Band topology of anomalous quantum Hall insulators can be precisely addressed by computing the Chern numbers of constituent nondegenerate bands, describing the presence of quantized, Abelian Berry flux through the two-dimensional Brillouin zone. Can Berry flux be captured for the SU (2) Berry connection of two -fold degenerate bands in spinful materials preserving space -inversion ( P ) and time -reversal ( T ) symmetries without detailed knowledge of underlying basis? We address this question by investigating the correspondence between a non -Abelian generalization of Stokes' theorem and the manifestly gauge -invariant eigenvalues of Wilson loops computed along in -plane contours which preserve the underlying crystalline symmetry. The importance of this correspondence is elucidated by performing natural number resolved classification of ab initio band structures of three-dimensional, Dirac materials. Our work underscores how identification of quantized Berry flux, both Abelian and non -Abelian, offers a unified framework for addressing first -order and higher -order topology of insulators and semimetals.

The increasing financial and environmental cost of many inorganic materials has motivated study into organic and “green” alternatives. However, most organic compounds contain a large number of atoms in the primitive unit cell, posing a significant barrier to high-throughput screening for functional properties. In this work, we attempt to overcome this challenge and identify superconducting candidates among the metal-organic-frameworks in the organic materials database using a recently proposed proxy for the electron-phonon coupling. We then isolate the most promising candidate for in-depth analysis, C9H8Mn2O11, providing evidence for superconductivity below 100mK.

In recent decades, the Altland-Zirnabuer (AZ) table has proven incredibly powerful in delineating constraints for topological classification of a given band-insulator based on dimension and (nonspatial) symmetry class, and has also been expanded by considering additional crystalline symmetries. Nevertheless, realizing a three-dimensional (3D), time-reversal symmetric (class AII) topological insulator (TI) in the absence of reflection symmetries, with a classification beyond the Z₂ paradigm remains an open problem. In this work we present a general procedure for constructing such systems within the framework of projected topological branes (PTBs). In particular, a 3D projected brane from a “parent” four-dimensional topological insulator exhibits a Z topological classification, corroborated through its response to the inserted bulk monopole loop. More generally, PTBs have been demonstrated to be an effective route to performing dimensional reduction and embedding the topology of a (d+1)-dimensional “parent” Hamiltonian in d dimensions, yielding lower-dimensional topological phases beyond the AZ classification without additional symmetries. Our findings should be relevant for the metamaterial platforms, such as photonic and phononic crystals, topolectric circuits, and designer systems.