Three-Dimensional Topological Insulators in I − III − VI 2 and II − IV − V 2 Chalcopyrite Semiconductors
作者： Wanxiang Feng , Di Xiao , Jun Ding , Yugui Yao
DOI: 10.1103/PHYSREVLETT.106.016402
关键词:
摘要: Using first-principles calculations within density functional theory, we investigate the band topology of ternary chalcopyrites composition I-III-VI2 and II-IV-V2. By exploiting adiabatic continuity their structures to binary 3D-HgTe, combined with direct evaluation Z2 topological invariant, show that a large number can realize insulating phase in native states. The ability host room-temperature ferromagnetism same chalcopyrite family makes them appealing candidates for novel spintronics devices.
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