题 目： High-Throughput Screening Methods for Magnetic and Flat-band Topological Materials
报告人： 徐远峰 博士 普林斯顿大学
时 间： 2022年09月13日（星期二) 上午09：30
地 点： 腾讯会议 ID 717-739-255
报告摘要：The electronic band structures of nonmagnetic crystals can be classified by complete theories of band topology, reminiscent of a “topological periodic table”. High-throughput calculations found that about 50% of the nonmagnetic materials in material databases are topological. However, such a classification for magnetic materials had been elusive for a long time, and hence very few intrinsic magnetic topological materials were discovered. Recently, we have taken a large step towards the high-throughput discovery of magnetic materials with nontrivial topological electronic properties.
I’ll introduce the development of magnetic topological quantum chemistry (MTQC) which is a complete, real-space theory of band topology in magnetic and nonmagnetic crystalline solids. Using MTQC, we derived the complete set of symmetry-based indicators of electronic band topology, based on which we performed the first high-throughput calculations for magnetic topological materials. In MTQC, the topology of a gapped band structure can be classified as topological or trivial. While, the topologically trivial insulators can still come in two kinds: atomic insulator, where the Wannier charge centers are localized on the atoms, and obstructed atomic insulators, where the Wannier charge centers are located away from atoms. In the second part, I’ll introduce the three-dimensional real space invariants (3D RSI) that derived from MTQC and its applications to the high-throughput screening of obstructed atomic insulators. In the last part, I’ll further introduce the application of MTQC in general construction and topological classification of flat bands in crystalline materials.
报告人介绍：Yuanfeng Xu(徐远峰)，普林斯顿大学博士后，2013年毕业于manbetx手机版登录注册获学士学位。2019年于中国科学院物理研究所获博士学位。2019年-今，先后于马克斯·普朗克微结构物理研究所和普林斯顿大学从事博士后研究工作。长期从事凝聚态体系中量子现象的计算和理论研究，迄今已在顶级SCI期刊发表学术论文20余篇，包括Nature、 Phys. Rev. Lett. 、 Phys. Rev. X 等。