A complete catalogue of high-quality topological materials

被引:850
|
作者
Vergniory, M. G. [1 ,2 ,3 ]
Elcoro, L. [4 ]
Felser, Claudia [5 ]
Regnault, Nicolas [6 ]
Bernevig, B. Andrei [7 ,8 ,9 ]
Wang, Zhijun [7 ,10 ,11 ]
机构
[1] Donostia Int Phys Ctr, San Sebastian, Spain
[2] Ikerbasque, Basque Fdn Sci, Bilbao, Spain
[3] Univ Basque Country, UPV EHU, Appl Phys Dept 2, Bilbao, Spain
[4] Univ Basque Country, UPV EHU, Dept Condensed Matter Phys, Bilbao, Spain
[5] Max Planck Inst Chem Phys Solids, Dresden, Germany
[6] Sorbonne Univ, Univ Paris Diderot, Sorbonne Paris Cite, PSL Univ,CNRS,Ecole Normale Super,Lab Phys, Paris, France
[7] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA
[8] Free Univ Berlin, Phys Dept, Berlin, Germany
[9] Max Planck Inst Microstruct Phys, Halle, Germany
[10] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing, Peoples R China
[11] Chinese Acad Sci, Inst Phys, Beijing, Peoples R China
基金
美国国家科学基金会;
关键词
DISCOVERY;
D O I
10.1038/s41586-019-0954-4
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
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.
引用
收藏
页码:480 / 485
页数:6
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