A search model for topological insulators with high-throughput robustness descriptors.

Nature Materials
Kesong YangStefano Curtarolo

Abstract

Topological insulators (TI) are becoming one of the most studied classes of novel materials because of their great potential for applications ranging from spintronics to quantum computers. To fully integrate TI materials in electronic devices, high-quality epitaxial single-crystalline phases with sufficiently large bulk bandgaps are necessary. Current efforts have relied mostly on costly and time-consuming trial-and-error procedures. Here we show that by defining a reliable and accessible descriptor , which represents the topological robustness or feasibility of the candidate, and by searching the quantum materials repository aflowlib.org, we have automatically discovered 28 TIs (some of them already known) in five different symmetry families. These include peculiar ternary halides, Cs{Sn,Pb,Ge}{Cl,Br,I}(3), which could have been hardly anticipated without high-throughput means. Our search model, by relying on the significance of repositories in materials development, opens new avenues for the discovery of more TIs in different and unexplored classes of systems.

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Oct 15, 1996·Physical Review. B, Condensed Matter·G Kresse, J Furthmüller
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Mar 16, 2007·Physical Review Letters·Liang FuE J Mele
Mar 12, 2010·Nature·Joel E Moore
Jun 1, 2010·Nature Materials·Stanislav ChadovShou Cheng Zhang
Sep 28, 2010·Physical Review Letters·K KurodaM Taniguchi
Sep 28, 2010·Physical Review Letters·Di XiaoZhenyu Zhang
May 17, 2011·Physical Review Letters·Hai-Jun ZhangClaudia Felser
Jun 8, 2011·ACS Combinatorial Science·Wahyu SetyawanStefano Curtarolo
Jan 26, 2012·Nature Communications·T ArakaneYoichi Ando
May 1, 2012·Physical Review Letters·S SoumaYoichi Ando

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Citations

Mar 26, 2013·Journal of Chemical Information and Modeling·G PilaniaR Ramprasad
Feb 27, 2013·Nano Letters·P GehringK Kern
Jan 28, 2016·Nano Letters·Shi LiuAndrew M Rappe
Dec 1, 2015·Scientific Reports·Congwei XieTekalign Terfa Debela
Mar 18, 2015·The Journal of Chemical Physics·Yinan Shu, Benjamin G Levine
Mar 2, 2016·Physical Chemistry Chemical Physics : PCCP·Y ZhangJ Köhler
Jan 27, 2016·Physical Chemistry Chemical Physics : PCCP·Demet UsanmazStefano Curtarolo
Mar 28, 2017·Physical Chemistry Chemical Physics : PCCP·Bartlomiej WiendlochaJoseph P Heremans
Feb 21, 2013·Nature Materials·Stefano CurtaroloOhad Levy
May 12, 2018·Chemical Communications : Chem Comm·Ananya BanikKanishka Biswas
Feb 3, 2018·Physical Chemistry Chemical Physics : PCCP·Atahar ParveenG Vaitheeswaran
Jun 26, 2014·Physical Chemistry Chemical Physics : PCCP·Haiyang NiuYiyi Li
Aug 6, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Erika N LimaR W Nunes
Jun 20, 2017·Journal of Physics. Condensed Matter : an Institute of Physics Journal·B T Wang, Elena R Margine
May 14, 2016·Advanced Materials·Constantinos C Stoumpos, Mercouri G Kanatzidis
Jun 12, 2014·Physical Chemistry Chemical Physics : PCCP·Arindom ChatterjeeKanishka Biswas
Sep 12, 2017·Angewandte Chemie·Ananya Banik, Kanishka Biswas
Nov 16, 2019·Advanced Science·Lauri HimanenPatrick Rinke
Jun 14, 2019·Scientific Reports·Kamal ChoudharyFrancesca Tavazza
Jul 18, 2014·Physical Chemistry Chemical Physics : PCCP·Nasrin SarmadianJohan Paul
Jun 18, 2014·Journal of Physics. Condensed Matter : an Institute of Physics Journal·T R DevidasC N R Rao
Aug 7, 2014·Physical Chemistry Chemical Physics : PCCP·Chung Man IpAlessandro Troisi
Feb 27, 2016·Physical Review Letters·Cheng-Cheng LiuFan Zhang
Jun 24, 2017·Physical Review Letters·Adhip Agarwala, Vijay B Shenoy
Sep 24, 2020·The Journal of Chemical Physics·Duong-Nguyen NguyenHieu-Chi Dam
Jun 1, 2016·Chemical Science·Yi Li, Jihong Yu
Oct 7, 2015·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Benjamin M Fregoso, Sinisa Coh
Dec 16, 2020·The Journal of Chemical Physics·Joshua J Brown, Alister J Page
Mar 17, 2021·The Journal of Chemical Physics·Ravi KashikarB R K Nanda
Oct 29, 2013·Physical Review Letters·Dong ZhangKai Chang
Oct 2, 2020·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Jianghui LiuHuijun Liu
Sep 10, 2014·Nano Letters·Ernesto O Wrasse, Tome M Schmidt
Oct 20, 2018·The Journal of Physical Chemistry Letters·Zeying ZhangHongbin Zhang

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