Topological phase transition and quantum spin Hall state in TlBiS{sub 2}
- Department of Physics, Indian Institute of Technology Kanpur, Kanpur 208016 (India)
- Graphene Research Centre and Department of Physics, National University of Singapore, Singapore 117542 (Singapore)
- Department of Physics, Northeastern University, Boston, Massachusetts 02115 (United States)
We have investigated the bulk and surface electronic structures and band topology of TlBiS{sub 2} as a function of strain and electric field using ab-initio calculations. In its pristine form, TlBiS{sub 2} is a normal insulator, which does not support any non-trivial surface states. We show however that a compressive strain along the (111) direction induces a single band inversion with Z{sub 2} = (1;000), resulting in a Dirac cone surface state with a large in-plane spin polarization. Our analysis shows that a critical point lies between the normal and topological phases where the dispersion of the 3D bulk Dirac cone at the Γ-point becomes nearly linear. The band gap in thin films of TlBiS{sub 2} can be tuned through an out-of-the-plane electric field to realize a topological phase transition from a trivial insulator to a quantum spin Hall state. An effective k·p model Hamiltonian is presented to simulate our first-principles results on TlBiS{sub 2}.
- OSTI ID:
- 22308472
- Journal Information:
- Journal of Applied Physics, Vol. 116, Issue 3; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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