A complete catalogue of high-quality topological materials

By M. Vergniory, L. Elcoro, Claudia Felser, N. Regnault, Bogdan Andrei Bernevig, Zhijun Wang. Nature, 2018

766 citations recorded by the source corpus.

Using a recently developed formalism called topological quantum chemistry, we perform a high-throughput search of ‘high-quality’ materials (for which the atomic positions and structure have been measured very accurately) in the Inorganic Crystal Structure Database in order to identify new topological phases. We develop codes to compute all characters of all symmetries of 26,938 stoichiometric materials, and find 3,307 topological insulators, 4,078 topological semimetals and no fragile phases. For these 7,385 materials we provide the electronic band structure, including some electronic properties (bandgap and number of electrons), symmetry indicators, and other topological information. Our results show that more than 27 per cent of all materials in nature are topological. We provide an open-source code that checks the topology of any material and allows other researchers to reproduce our results. Topological quantum chemistry and newly developed codes are used to analyse and compute the topological properties of materials in a large crystal database and to identify new topological phases, finding that more than 27 per cent of all materials in nature are topological.

Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/686239fc2cef447e84c5416a6caaa3dbf75fe8a5

Citations in the corpus

• Angle-resolved photoemission studies of quantum materials (2020, unknown): “…are not nearly as rare as one might expect: large-scale theoretical searches have predicted thousands of topological materials, estimating that up to 30% of materials in nature are topologically non-trivial, with ∼ 12% being TIs (Tang et al., 2019; Vergniory et al., 2019; Zhang et al., 2019c).”