Application of the induction procedure and the Smith Decomposition in the calculation and topological classification of electronic band structures in the 230 space groups

Abstract

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 the 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.

17 pages, 0 figures 129 pages of Supplementary Material

References in corpus (16)

• Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells
• Quantum Spin Hall Insulator State in HgTe Quantum Wells
• Discovery (theoretical prediction and experimental observation) of a large-gap topological-insulator class with spin-polarized single-Dirac-cone on the surface
• Topological Crystalline Insulators
• Electric Multipole Moments, Topological Multipole Moment Pumping, and Chiral Hinge States in Crystalline Insulators
• $(d-2)$-dimensional edge states of rotation symmetry protected topological states
• Reflection symmetric second-order topological insulators and superconductors
• Higher-order topological insulators and semimetals on the breathing Kagome and pyrochlore lattices
• Surface States of the Topological Insulator Bi_{1-x}Sb_x
• The space group classification of topological band insulators
• Topology of crystalline insulators and superconductors
• Wannier representation of Z_2 topological insulators
• Double crystallographic groups and their representations on the Bilbao Crystallographic Server
• Building Blocks of Topological Quantum Chemistry: Elementary Band Representations
• New classes of topological crystalline insulators with unpinned surface Dirac cones
• Graph Theory Data for Topological Quantum Chemistry

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