期刊
NANO LETTERS
卷 14, 期 5, 页码 2505-2508出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl500206u
关键词
2D topological insulators; topological phase transition; quantum spin Hall effect; III-V semiconductor thin films; electronic structures; first-principles calculations
类别
资金
- National Center for Theoretical Sciences
- Taiwan National Science Council [NSC-101-2112-M110-002-MY3, NSC-101-2218-E-110-003-MY3]
- US Department of Energy, Office of Science, Basic Energy Sciences [DE-FG02-07ER46352]
- DOE [DE-AC02-05CH11231]
- Singapore National Research Foundation under NRF Award [NRF-NRFF2013-03]
We use first-principles electronic structure calculations to predict a new class of two-dimensional (2D) topological insulators (TIs) in binary compositions of group III elements (B, Al, Ga, In, and Tl) and bismuth (Bi) in a buckled honeycomb structure. We identify band inversions in pristine GaBi, InBi, and TlBi bilayers, with gaps as large as 560 meV, making these materials suitable for room-temperature applications. Furthermore, we demonstrate the possibility of strain engineering in that the topological phase transition in BBi and AlBi could be driven at similar to 6.6% strain. The buckled structure allows the formation of two different topological edge states in the zigzag and armchair edges. More importantly, isolated Dirac-cone edge states are predicted for armchair edges with the Dirac point lying in the middle of the 2D bulk gap. A room-temperature bulk band gap and an isolated Dirac cone allow these states to reach the long-sought topological spin-transport regime. Our findings suggest that the buckled honeycomb structure is a versatile platform for hosting nontrivial topological states and spin-polarized Dirac fermions with the flexibility of chemical and mechanical tunability.
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