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Catalogue of topological electronic materials

主 讲 人 :张田田    博士


地      点 :理科群2-B409


Topological electronic materials are new quantumstates of matter hosting novel linear responses in the bulk and anomalous gaplessstates at the boundary, and are for scientific and applied reasons underintensive research in physics and in materials sciences. Here we introduce aneffective, efficient and fully automated algorithm in obtaining the topologicalinvariants for all non-magnetic materials that are known to human, based onrecently developed principles that allow for exhaustive mappings between thesymmetry representation of occupied bands and the topological invariants. Ouralgorithm requires as input only the occupied-band information (energy andwavefunction) at a handful (up to eight) of high-symmetry points in theBrillouin zone, which is readily calculable with any first- principlessoftware. In return, it is capable of providing a detailed topological classificationof all non-magnetic materials. Equipped with this method we have scannedthrough a total of 39519 materials available in structural databases, and foundthat as many as 8056 of them are actually topological (8889 if spin-orbitalcoupling is neglected). These are further catalogued into classes of 5005topological semimetals, 1814 topological insulators and 1237 topologicalcrystalline insulators, most of which are new to human knowledge. All theresults are available and searchable at http://materiae.iphy. ac.cn/.


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。

发布时间:2018-11-30 10:33:38

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