A complete catalogue of high-quality topological materials.
Journal
Nature
ISSN: 1476-4687
Titre abrégé: Nature
Pays: England
ID NLM: 0410462
Informations de publication
Date de publication:
02 2019
02 2019
Historique:
received:
05
07
2018
accepted:
27
12
2018
entrez:
1
3
2019
pubmed:
1
3
2019
medline:
1
3
2019
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 30814710
doi: 10.1038/s41586-019-0954-4
pii: 10.1038/s41586-019-0954-4
doi:
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.
Langues
eng
Pagination
480-485Commentaires et corrections
Type : ErratumIn
Références
Kane, C. L. & Mele, E. J. Quantum spin Hall effect in graphene. Phys. Rev. Lett. 95, 226801 (2005).
doi: 10.1103/PhysRevLett.95.226801
Bernevig, B. A., Hughes, T. L. & Zhang, S.-C. Quantum spin Hall effect and topological phase transition in HgTe quantum wells. Science 314, 1757–1761 (2006).
doi: 10.1126/science.1133734
Fu, L. & Kane, C. L. Topological insulators with inversion symmetry. Phys. Rev. B 76, 045302 (2007).
doi: 10.1103/PhysRevB.76.045302
Wang, Z., Alexandradinata, A., Cava, R. J. & Bernevig, B. A. Hourglass fermions. Nature 532, 189–194 (2016).
doi: 10.1038/nature17410
Wieder, B. J. et al. Wallpaper fermions and the nonsymmorphic Dirac insulator. Science 361, 246–251 (2018).
doi: 10.1126/science.aan2802
Wang, Z., Weng, H., Wu, Q., Dai, X. & Fang, Z. Three-dimensional Dirac semimetal and quantum transport in Cd
doi: 10.1103/PhysRevB.88.125427
Wang, Z. et al. Dirac semimetal and topological phase transitions in A
doi: 10.1103/PhysRevB.85.195320
Weng, H., Fang, C., Fang, Z., Bernevig, B. A. & Dai, X. Weyl semimetal phase in non- centrosymmetric transition-metal monophosphides. Phys. Rev. X 5, 011029 (2015).
Huang, S.-M. et al. An inversion breaking Weyl semimetal state in the TaAs material class. Nat. Commun. 6, 7373 (2015).
doi: 10.1038/ncomms8373
Lv, B. Q. et al. Experimental discovery of weyl semimetal TaAs. Phys. Rev. X 5, 031013 (2015).
Xu, S.-Y. et al. Discovery of a weyl fermion semimetal and topological Fermi arcs. Science 349, 613–617 (2015).
doi: 10.1126/science.aaa9297
Bzdušek, T., Wu, Q., Rüegg, A., Sigrist, M. & Soluyanov, A. Nodal-chain metals. Nature 538, 75–78 (2016).
doi: 10.1038/nature19099
Bradlyn, B. et al. Beyond Dirac and Weyl fermions: unconventional quasiparticles in conventional crystals. Science 353, aaf5037 (2016).
doi: 10.1126/science.aaf5037
Bradlyn, B. et al. Topological quantum chemistry. Nature 547, 298–305 (2017).
doi: 10.1038/nature23268
Cano, J. et al. Topology of disconnected elementary band representations. Phys. Rev. Lett. 120, 266401 (2018).
doi: 10.1103/PhysRevLett.120.266401
Elcoro, L. et al. Double crystallographic groups and their representations on the Bilbao Crystallographic Server. J. Appl. Crystallogr. 50, 457–1477 (2017).
doi: 10.1107/S1600576717011712
Vergniory, M. G. et al. Graph theory data for topological quantum chemistry. Phys. Rev. E 96, 023310 (2017).
doi: 10.1103/PhysRevE.96.023310
Bradlyn, B. et al. Band connectivity for topological quantum chemistry: band structures as a graph theory problem. Phys. Rev. B 97, 035138 (2018).
doi: 10.1103/PhysRevB.97.035138
Band representations of the double space group (BANDREP). Bilbao Crystallographic Server www.cryst.ehu.es/cryst/bandrep .
Compatibility relations between representations of the double space groups (DCOMPREL). Bilbao Crystallographic Server www.cryst.ehu.es/cryst/dcomprel .
Kruthoff, J., de Boer, J., van Wezel, J., Kane, C. L. & Slager, R.-J. Topological classification of crystalline insulators through band structure combinatorics. Phys. Rev. X 7, 041069 (2017).
Benalcazar, W. A., Bernevig, B. A. & Hughes, T. L. Quantized electric multipole insulators. Science 357, 61–66 (2017).
doi: 10.1126/science.aah6442
Schindler, F. et al. Higher-order topological insulators. Sci. Adv. 4, eaat0346 (2018).
doi: 10.1126/sciadv.aat0346
Song, Z., Fang, Z. & Fang, C. (d−2)-dimensional edge states of rotation symmetry protected topological states. Phys. Rev. Lett. 119, 246402 (2017).
doi: 10.1103/PhysRevLett.119.246402
Langbehn, J., Peng, Y., Trifunovic, L., von Oppen, F. & Brouwer, P. W. Reflection-symmetric second-order topological insulators and superconductors. Phys. Rev. Lett. 119, 246401 (2017).
doi: 10.1103/PhysRevLett.119.246401
Schindler, F. et al. Higher-order topology in bismuth. Nat. Phys. 14, 918–924 (2018); correction 14, 1067 (2018).
doi: 10.1038/s41567-018-0224-7
Po, H. C., Watanabe, H. & Vishwanath, A. Fragile topology and wannier obstructions. Phys. Rev. Lett. 121, 126402 (2017).
doi: 10.1103/PhysRevLett.121.126402
Bouhon, A., Black-Schaffer, A. M. & Slager, R.-J. Wilson loop approach to topological crystalline insulators with time reversal symmetry. Preprint at https://arxiv.org/abs/1804.09719 (2018).
Song, Z. et al. All “magic angles” are “stable” topological. Preprint at https://arxiv.org/abs/1807.10676 (2018).
Bradlyn, B., Wang, Z., Cano, J. & Bernevig, B. A. Disconnected elementary band representations, fragile topology, and Wilson loops as topological indices. Phys. Rev. B 99, 045140 (2019).
doi: 10.1103/PhysRevB.99.045140
Song, Z., Zhang, T., Fang, Z. & Fang, C. Quantitative mappings between symmetry and topology in solids. Nat. Commun. 8, 3530 (2018).
doi: 10.1038/s41467-018-06010-w
Song, Z., Zhang, T. & Fang, C. Diagnosis for nonmagnetic topological semimetals in the absence of spin-orbital coupling. Phys. Rev. X 8, 031069 (2018).
Po, H. C., Vishwanath, A. & Watanabe, H. Symmetry-based indicators of band topology in the 230 space groups. Nat. Commun. 8, 50 (2017).
doi: 10.1038/s41467-017-00133-2
Kresse, G. & Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47, 558–561 (1993).
doi: 10.1103/PhysRevB.47.558
Check Topological Mat. Bilbao Crystallographic Server www.cryst.ehu.es/cryst/checktopologicalmat .
Xu, Q., Yu, R., Fang, Z., Dai, X. & Weng, H. Topological nodal line semimetals in the CaP
Fang, C. & Fu, L. Rotation anomaly and topological crystalline insulators. Preprint at https://arxiv.org/abs/1709.01929 (2017).
Zhou, X. et al. Topological crystalline insulator states in the Ca
doi: 10.1103/PhysRevB.98.241104
Tang, F., Po, H. C., Vishwanath, A. & Wan, X. Efficient topological materials discovery using symmetry indicators. Preprint at https://arxiv.org/abs/1805.07314 (2018).
Tang, F., Po, H. C., Vishwanath, A. & Wan, X. Topological materials discovery by large-order symmetry indicators. Preprint at https://arxiv.org/abs/1806.04128 (2018).