title: Three-dimensional topological insulators in I-III-VI2 and II-IV-V2 chalcopyrite semiconductors.
abstract: Using first-principles calculations within density functional theory, we investigate the band topology of ternary chalcopyrites of composition I-III-VI2 and II-IV-V2. By exploiting adiabatic continuity of their band structures to the binary 3D-HgTe, combined with direct evaluation of the Z2 topological invariant, we show that a large number of chalcopyrites can realize the topological insulating phase in their native states. The ability to host room-temperature ferromagnetism in the same chalcopyrite family makes them appealing candidates for novel spintronics devices.
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.
authors.forename: Wanxiang
authors.initials: W
authors.lastname: Feng
authors.forename: Di
authors.initials: D
authors.lastname: Xiao
authors.forename: Jun
authors.initials: J
authors.lastname: Ding
authors.forename: Yugui
authors.initials: Y
authors.lastname: Yao