High-throughput Investigations of Topological and Nodal Superconductors

Abstract

The theory of symmetry indicators has enabled database searches for topological materials in normal conducting phases, which has led to several encyclopedic topological material databases. To date, such a database for topological superconductors is yet to be achieved because of the lack of information about pairing symmetries of realistic materials. In this work, sidestepping this issue, we tackle an alternative problem: the predictions of topological and nodal superconductivity in materials for each single-valued representation of point groups. Based on recently developed symmetry indicators for superconductors, we provide comprehensive mappings from pairing symmetries to topological or nodal superconducting nature for nonmagnetic materials listed in Inorganic Crystal Structure Database. We quantitatively show that around 90\% of computed materials are topological or nodal superconductors when a pairing that belongs to a one-dimensional nontrivial irrep of point groups is assumed. When materials are representation-enforced nodal superconductors, positions and shapes of the nodes are also identified. These data are aggregated at \textit{Database of Topological and Nodal Supercoductors}. We also provide a subroutine \textit{Topological Supercon}, which allows users to examine the topological nature in the superconducting phase of any material themselves by uploading the result of first-principles calculations as an input. Our database and subroutine, when combined with experiments, will help us understand the pairing mechanism and facilitate realizations of the long-sought Majorana fermions promising for topological quantum computations.

arXiv comment7 pages. See "Ancillary files" for Supplemental Materials. Update the database to include pairings of multi-dimensional irreps

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• Group Theory on Quasisymmetry and Protected Near Degeneracy
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• Generalized Fermion Doubling Theorems: Classification of 2D Nodal Systems in Terms of Wallpaper Groups
• Magnetic hourglass fermions: from exhaustive symmetry conditions to high-throughput materials predictions
• Deep Learning Based Superconductivity: Prediction and Experimental Tests
• Classification of time-reversal symmetric topological superconducting phases for conventional pairing symmetries
• Direct demonstration of bulk-boundary correspondence in higher-order topological superconductors with chiral symmetry
• MPd5 kagome superconductors studied by density functional calculations
• Higher-order topological superconductors characterized by Fermi level crossings
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• Binary kagome superconducting candidates hosting topological electronic states
• Effect of superconductivity by Nb and V substitution in kagome CaPd5