期刊
PHYSICAL REVIEW B
卷 88, 期 19, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.88.195147
关键词
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资金
- Department of Science and Technology, New Delhi (India) [SR/S2/CMP0098/ 2010]
- US Department of Energy, Office of Science, Basic Energy Sciences [DE-FG02-07ER46352]
- Northeastern University's Advanced Scientific Computation Center (ASCC)
- Advanced Light Source, Berkeley
- NERSC supercomputing center through DOE [DE-AC02-05CH11231]
- Singapore National Research Foundation (NRF)
- NRF [NRF-NRFF2013-03]
We discuss possible topological phase transitions in Ge-based thin films of Ge(BixSb1-x)(2)Te-4 as a function of layer thickness and Bi concentration x using the first-principles density functional theory framework. The bulk material is a topological insulator at x = 1.0 with a single Dirac cone surface state at the surface Brillouin zone center, whereas it is a trivial insulator at x = 0. Through a systematic examination of the band topologies, we predict that thin films of Ge(BixSb1-x)(2)Te-4 with x = 0.6, 0.8, and 1.0 are candidates for two-dimensional (2D) topological insulators, which would undergo a 2D topological phase transition as a function of x. A topological phase diagram for Ge(BixSb1-x)(2)Te-4 thin films is presented to help guide their experimental exploration.
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