Dresden 2011 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 59: TR: Topological Insulators 2 (jointly with HL and MA)
TT 59.1: Vortrag
Freitag, 18. März 2011, 10:30–10:45, HSZ 03
(contribution withdrawn) New Family of Materials for Three-Dimensional Topological Insulators in the Antiperovskite Structure — •Yan Sun1, Xing-Qiu Chen1, Dianzhong Li1, Yiyi Li1, and Seiji Yunoki2 — 1Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China — 2Computational Condensed Matter Physics Laboratory, RIKEN ASI, Saitama 351-0198, Japan
Up to now, all known topological insulators found experimentally and theoretically are related to two families with distinct crystal structures, i.e., one being a cubic non-centrosymmetric zinc-blende HgTe type and the other being a hexagonal centrosymmetric Bi2Se3 type. Here, we propose a new family of materials for topological insulators in the antiperovskite structure. Through first-principles calculations, we show evidences that under a proper uniaxial strain, cubic ternary centrosymmetric antiperovskite compounds (M3N)Bi (M = Ca, Sr, and Ba) are three-dimensional (3D) topological insulators. We also discuss other related materials of the same antiperovskite structure which are good candidates for 3D topological insulators. This proposed family of materials is chemically inert and the lattice structure is well matched to important semiconductors, which provides a rich platform to easily integrate with electronic devices. This work was supported by the “Hundred Talents Project” of Chinese Academy of Sciences and by startup funding of the Institute of Metal Research, CAS in China.