Berlin 2018 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 68: Topological Insulators and Weyl Semimetals (joint session MA/TT)
TT 68.2: Vortrag
Mittwoch, 14. März 2018, 15:15–15:30, EB 407
High throughput screening of two dimensional topoloigical insulators — •Xinru Li1, Zeying Zhang1,2, and Hongbin Zhang1 — 1Institute of Materials Science, TU Darmstadt, 64287 Darmstadt, Germany — 2Beijing Key Laboratory of Nanophotonics and Ultrafine Optoelectronic Systems, School of Physics, Beijing Institute of Technology, Beijing 100081, China
Topological insulators (TIs), with insulating band gaps and nontrivial edge states, have been widely investigated not only for its fundamental importance but also owing to its potential technological applications. The two-dimensional (2D) TIs are particularly interesting, as they can get easily implemented into devices. There have been many 2D TIs predicted theoretically or synthesized experimentally. However previous efforts have relied mostly on time-consuming trial-and-error procedures. Here, starting from a 2D materials database with 826 slab systems predicted to be stable, we performed high-throughput screening over all materials at the first principles level. For nonmagnetic 2D materials with small (< 0.1 eV)band gaps, maximally localized Wannier functions are constructed in an automated way in order to characterize the topological character by examining the surface states. Combined with explicit evaluation of the topological invariants, we have successfully identified one novel 2D TI, whose topological properties will be discussed in detail.