Theoretical investigation of the evolution of the topological phase of Bi2Se3under mechanical strain
Open accessAbstract
The topological insulating phase results from inversion of the band gap due to spin-orbit coupling at an odd number of time-reversal symmetric points. In Bi${}_{2}$Se${}_{3}$, this inversion occurs at the $\ensuremath{\Gamma}$ point. For bulk Bi${}_{2}$Se${}_{3}$, we have analyzed the effect of arbitrary strain on the $\ensuremath{\Gamma}$ point band gap using density functional theory. By computing the band structure both with and without spin-orbit interactions, we consider the effects of strain on the gap via Coulombic interaction and spin-orbit interaction separately. While compressive strain acts to decrease the Coulombic gap, it also increases the strength of the spin-orbit interaction, increasing the inverted gap. Comparison with Bi${}_{2}$Te${}_{3}$ supports the conclusion that effects on both Coulombic and spin-orbit interactions are critical to understanding the behavior of topological insulators under strain, and we propose that the topological insulating phase can be effectively manipulated by inducing strain through chemical substitution.
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Material realizations of a DSM at a quantum critical point occur in normal-topological insulator transitions tuned by composition (Brahlek et al., 2012; Novak et al., 2015; Salehi et al., 2016; Sato et al., 2011; Wu et al., 2013; Xu et al., 2011b; Zeljkovic et al., 2015) and by strain (Young et al., 2011).
“Material realizations of a DSM at a quantum critical point occur in normal-topological insulator transitions tuned by composition (Brahlek et al. , 2012; Novak et al. , 2015; Salehi et al. , 2016; Sato et al. , 2011; Wu et al. , 2013; Xu et al. , 2011b; Zeljkovic et al. , 2015) and by strain (Young et al. , 2011).”
From Weyl and Dirac semimetals in three-dimensional solids (2018) · cites this paper as Young et al., 2011
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Cites
Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface
Zhang, H., Liu, C.-X., Qi, X.-L., Dai, X., Fang, Z., & Zhang, S.-C. (2009) · Nature Physics · doi:10.1038/nphys1270 · Cited by 6,359 · see citing works
Quantum Spin Hall Insulator State in HgTe Quantum Wells
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Superconducting Proximity Effect and Majorana Fermions at the Surface of a Topological Insulator
Fu, L., & Kane, C. L. (2008) · Physical Review Letters · doi:10.1103/physrevlett.100.096407 · Cited by 4,868 · see citing works
Self-citationTopological Insulators in Three Dimensions
Fu, L., Kane, C. L., & Mele, E. J. (2007) · Physical Review Letters · doi:10.1103/physrevlett.98.106803 · Cited by 4,651 · see citing works
Self-citationObservation of a large-gap topological-insulator class with a single Dirac cone on the surface
Xia, Y., Qian, D., Hsieh, D., Wray, L., Pal, A., Lin, H., Bansil, A., Grauer, D., Hor, Y. S., Cava, R. J., et al. (2009) · Nature Physics · doi:10.1038/nphys1274 · Cited by 3,765 · see citing works
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A topological Dirac insulator in a quantum spin Hall phase
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Aharonov–Bohm interference in topological insulator nanoribbons
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Weyl and Dirac semimetals in three-dimensional solids
Armitage, N. P., Mele, E. J., & Vishwanath, A. (2018) · Reviews of Modern Physics · doi:10.1103/revmodphys.90.015001 · Cited by 4,528 · see citing works
“…realizations of a DSM at a quantum critical point occur in normal-topological insulator transitions tuned by composition (Brahlek et al., 2012; Novak et al., 2015; Salehi et al., 2016; Sato et al., 2011; Wu et al., 2013; Xu et al., 2011b; Zeljkovic et al., 2015) and by strain (Young et al., 2011).”
BackgroundSelf-citationDirac Semimetal in Three Dimensions
Young, S. M., Zaheer, S., Teo, J. C. Y., Kane, C. L., Mele, E. J., & Rappe, A. M. (2012) · Physical Review Letters · doi:10.1103/physrevlett.108.140405 · Cited by 1,741 · see citing works
Self-citationWeyl and Dirac Semimetals in Three Dimensional Solids
Armitage, N. P., Mele, E. J., & Vishwanath, A. (2017) · arXiv
“…realizations of a DSM at a quantum critical point occur in normal-topological insulator transitions tuned by composition (Brahlek et al., 2012; Novak et al., 2015; Salehi et al., 2016; Sato et al., 2011; Wu et al., 2013; Xu et al., 2011b; Zeljkovic et al., 2015) and by strain (Young et al., 2011).”
BackgroundSelf-citation
- Authors
- Young, S. M., Chowdhury, S., Walter, E. J., Mele, E. J., Kane, C. L., & Rappe, A. M.
- Affiliations
- University of Pennsylvania (US)
- William & Mary (US)
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2011-08-19
- Volume
- 84
- Issue
- 8
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2073322000
- Cited by
- 131
- References
- 8
- Citations by year
- 2026: 4 · 2025: 2 · 2024: 9 · 2023: 10 · 2022: 9 · 2021: 10 · 2020: 8 · 2019: 7 · 2018: 9 · 2017: 7 · 2016: 14 · 2015: 14 · 2014: 14 · 2013: 6 · 2012: 7
- FWCI
- 4.86
- Type
- journal article
- Language
- en
- Open access
- green
- arxiv.org
- Licence
- Locations
- Physical Review B (publishedVersion)
- arXiv (Cornell University) (submittedVersion)
- ScholarlyCommons (University of Pennsylvania) (submittedVersion)
- Scholarly Commons (University of Pennsylvania) (submittedVersion)
- W&M Publish (College of William & Mary) (submittedVersion)
- OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (submittedVersion)
- arXiv (Cornell University)
- Funders
- U.S. Department of Energy
- National Science Foundation
- 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
- Bi2Se3, topological insulators, mechanical strain, spin-orbit coupling, electrostatic interactions, Γ point, compressive strain, Bi2Te3, chemical substitution, electronic band structure
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