摘要
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.
源语言 | 英语 |
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文章编号 | 016402 |
期刊 | Physical Review Letters |
卷 | 106 |
期 | 1 |
DOI | |
出版状态 | 已出版 - 5 1月 2011 |
已对外发布 | 是 |