We study the role of equi-biaxial strains on the electronic structure in pnictogen chalcogenides Bi2Se3, Bi2Te3, and As2Te3. Bi2Se3 and Bi2Te3 are topological insulators, and As2Te3 is an insulator with a relatively small bandgap. Based on the results of density functional theory calculations including van der Waals corrections, we demonstrate that a topological insulator (TI) state in As2Te3 can be induced by an epitaxial (in-plane) tensile misfit strain of 1%. Furthermore, we find overall that the effect of the misfit on the bandgap is larger for As2Te3 than for Bi2Se3 and Bi2Te3. We attribute this to a complex interplay between the misfit strain, spin–orbit coupling, and the relaxation of surface atomic layers. Our findings indicate that As2Te3 is more suitable than Bi2Se3 and Bi2Te3 for potential applications of strain-induced switching of TIs.
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7 January 2021
Research Article|
January 05 2021
Strain-induced surface modalities in pnictogen chalcogenide topological insulators
Special Collection:
Topological Materials and Devices
Thomas K. Reid
;
Thomas K. Reid
1
Department of Materials Science and Engineering and Institute of Materials Science, University of Connecticut
, Storrs, Connecticut 06269, USA
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Sanjeev K. Nayak
;
Sanjeev K. Nayak
a)
1
Department of Materials Science and Engineering and Institute of Materials Science, University of Connecticut
, Storrs, Connecticut 06269, USA
a)Authors to whom correspondence should be addressed: sanjev.nayak@uconn.edu and pamir.alpay@uconn.edu
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S. Pamir Alpay
S. Pamir Alpay
a)
1
Department of Materials Science and Engineering and Institute of Materials Science, University of Connecticut
, Storrs, Connecticut 06269, USA
2
Department of Physics, University of Connecticut
, Storrs, Connecticut 06269, USA
a)Authors to whom correspondence should be addressed: sanjev.nayak@uconn.edu and pamir.alpay@uconn.edu
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a)Authors to whom correspondence should be addressed: sanjev.nayak@uconn.edu and pamir.alpay@uconn.edu
Note: This paper is part of the Special Topic on Topological Materials and Devices.
J. Appl. Phys. 129, 015304 (2021)
Article history
Received:
September 03 2020
Accepted:
December 13 2020
Citation
Thomas K. Reid, Sanjeev K. Nayak, S. Pamir Alpay; Strain-induced surface modalities in pnictogen chalcogenide topological insulators. J. Appl. Phys. 7 January 2021; 129 (1): 015304. https://doi.org/10.1063/5.0028231
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