First-principles studies of the three-dimensional strong topological insulators Bi2Te3, Bi2Se3and Sb2Te3
Open accessAbstract
Bi 2 Se 3 , Bi 2 Te 3 and Sb 2 Te 3 compounds have recently been predicted to be three-dimensional (3D) strong topological insulators. In this paper, based on ab initio calculations, we study in detail the topological nature and the surface states of this family of compounds. The penetration depth and the spin-resolved Fermi surfaces of the surface states are analyzed. We also present a procedure from which a highly accurate effective Hamiltonian can be constructed based on projected atomic Wannier functions (which keep the symmetries of the systems). Such a Hamiltonian can be used to study the semi-infinite systems or slab-type supercells efficiently. Finally, we discuss the 3D topological phase transition in the Sb 2 (Te 1− x Se x ) 3 alloy system.
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The k^3 terms have also been found in Ref. [35].
“The k 3 terms have also been found in Ref. [35].”
From Model Hamiltonian for topological insulators (2010) · cites this paper as [35]
The k-cubic term induces hexagonal warping of the constant energy contours.
“the k-cubic term comes into play, which will not only induce the hexagonal warping of the constant energy contours[35]”
From Model Hamiltonian for topological insulators (2010) · cites this paper as [35]
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- Authors
- Zhang, W., Yu, R., Zhang, H.-J., Dai, X., & Fang, Z.
- Affiliations
- Chinese Academy of Sciences (CN)
- Venue
- New Journal of Physics
- Publisher
- IOP Publishing
- Published
- 2010-06-17
- Volume
- 12
- Issue
- 6
- Pages
- 065013
- ISSN
- 1367-2630 (ISSN-L)
- OpenAlex
- W2066036616
- Cited by
- 423
- References
- 7
- Citations by year
- 2026: 8 · 2025: 21 · 2024: 25 · 2023: 18 · 2022: 22 · 2021: 23 · 2020: 30 · 2019: 28 · 2018: 30 · 2017: 29 · 2016: 34 · 2015: 24 · 2014: 30 · 2013: 41 · 2012: 29
- FWCI
- 17.29
- Type
- journal article
- Language
- en
- Open access
- gold
- doi.org
- Licence
- cc-by
- Locations
- New Journal of Physics (publishedVersion, cc-by)
- arXiv (Cornell University) (submittedVersion)
- Rare & Special e-Zone (The Hong Kong University of Science and Technology) (submittedVersion)
- arXiv (Cornell University)
- Funders
- National Science Foundation
- National Natural Science Foundation of China
- National Key Research and Development Program of China
- Topics
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Topological Materials and Phenomena
- Physical Sciences › Materials Science › Materials Chemistry › 2D Materials and Applications
- Physical Sciences › Physics and Astronomy › Condensed Matter Physics › Advanced Condensed Matter Physics
- Keywords
- three-dimensional topological insulators, Bi2Te3, Bi2Se3, Sb2Te3, surface states, penetration depth, effective Hamiltonian, topological phase transition, chalcogenides
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