title: New family of three-dimensional topological insulators with antiperovskite structure.
abstract: All known topological insulators are crystallographically related to either the noncentrosymmetric zinc-blende HgTe-type family or to the hexagonal centrosymmetric Bi2Se3 one. Through first-principles calculations, here we show evidence that under a proper uniaxial strain cubic ternary centrosymmetric antiperovskite compounds (M3N)Bi (M=Ca, Sr, and Ba) are three-dimensional 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.
authors.affiliation: Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Sun
authors.forename: Xing-Qiu
authors.initials: XQ
authors.lastname: Chen
authors.forename: Seiji
authors.initials: S
authors.lastname: Yunoki
authors.forename: Dianzhong
authors.initials: D
authors.lastname: Li
authors.forename: Yiyi
authors.initials: Y
authors.lastname: Li