题目：Catalogue of topological electronic materials

报告人：张田田 中国科学院物理研究所

地点：理科群2-B409

时间：12月1日 上午10：00-11：00，星期六

摘要：Topological electronic materialsare new quantum states of matter hosting novel linear responses in the bulk andanomalous gapless states at the boundary, and are for scientific and appliedreasons under intensive research in physics and in materials sciences. Here weintroduce an effective, efficient and fully automated algorithm in obtainingthe topological invariants for all non-magnetic materials that are known tohuman, based on recently developed principles that allow for exhaustivemappings between the symmetry representation of occupied bands and thetopological invariants. Our algorithm requires as input only the occupied-bandinformation (energy and wavefunction) at a handful (up to eight) ofhigh-symmetry points in the Brillouin zone, which is readily calculable withany first- principles software. In return, it is capable of providing adetailed topological classification of all non-magnetic materials. Equippedwith this method we have scanned through a total of 39519 materials availablein structural databases, and found that as many as 8056 of them are actuallytopological (8889 if spin-orbital coupling is neglected). These are furthercatalogued into classes of 5005 topological semimetals, 1814 topologicalinsulators and 1237 topological crystalline insulators, most of which are newto human knowledge. All the results are available and searchable athttp://materiae.iphy. ac.cn/.

 报告人简介：张田田，2014年于北京师范大学物理学系获学士学位，同年到中国科学院物理研究所直博。研究生期间，在PRL, PRX, PRB, Nature Communications等期刊发表学术论文11篇。重要成果：1）首次研究了THz量级的声子谱中的拓扑，并首次在材料中发现“Charge-2”Dirac点；2）把材料库中的非磁性材料进行了高通量计算，并对其进行了拓扑分类。Nature News对此项工作进行了报道。