: A wide-gap strong topological insulator
Abstract
BaSn2 has been shown to form as layers of buckled stanene intercalated by barium ions. However, despite an apparently straightforward synthesis and significant interest in stanene as a topological material, BaSn2 has been left largely unexplored, and has only recently been recognized as a potential topological insulator. Belonging to neither the lead nor bismuth chalcogenide families, it would represent a unique manifestation of the topological insulating phase. Here in this paper, we present a detailed investigation of BaSn2, using both ab initio and experimental methods. First-principles calculations demonstrate that this overlooked material is indeed a strong, wide-gap topological insulator with a bulk band gap of 200 meV. We characterize the surface state dependence on termination chemistry, providing guidance for experimental efforts to measure and manipulate its topological properties. Additionally, through ab initio modeling and synthesis experiments, we explore the stability and accessibility of this phase, revealing a complicated phase diagram that indicates a challenging path to obtaining single crystals.
- Authors:
-
- United States Naval Research Lab., Washington, DC (United States). Center for Computational Materials Science
- Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
- Binghamton Univ., NY (United States). Dept. of Physics, Applied Physics and Astronomy
- Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Research Council; National Science Foundation (NSF); Gordon and Betty Moore Foundation
- OSTI Identifier:
- 1355405
- Alternate Identifier(s):
- OSTI ID: 1344010
- Report Number(s):
- IS-J-9259
Journal ID: ISSN 2469-9950; PRBMDO; TRN: US1702603
- Grant/Contract Number:
- DMR-1410514; AC02-07CH11358; GBMF4411
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 95; Journal Issue: 8; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Young, Steve M., Manni, S., Shao, Junping, Canfield, Paul C., and Kolmogorov, Aleksey N. BaSn2 : A wide-gap strong topological insulator. United States: N. p., 2017.
Web. doi:10.1103/PhysRevB.95.085116.
Young, Steve M., Manni, S., Shao, Junping, Canfield, Paul C., & Kolmogorov, Aleksey N. BaSn2 : A wide-gap strong topological insulator. United States. https://doi.org/10.1103/PhysRevB.95.085116
Young, Steve M., Manni, S., Shao, Junping, Canfield, Paul C., and Kolmogorov, Aleksey N. Wed .
"BaSn2 : A wide-gap strong topological insulator". United States. https://doi.org/10.1103/PhysRevB.95.085116. https://www.osti.gov/servlets/purl/1355405.
@article{osti_1355405,
title = {BaSn2 : A wide-gap strong topological insulator},
author = {Young, Steve M. and Manni, S. and Shao, Junping and Canfield, Paul C. and Kolmogorov, Aleksey N.},
abstractNote = {BaSn2 has been shown to form as layers of buckled stanene intercalated by barium ions. However, despite an apparently straightforward synthesis and significant interest in stanene as a topological material, BaSn2 has been left largely unexplored, and has only recently been recognized as a potential topological insulator. Belonging to neither the lead nor bismuth chalcogenide families, it would represent a unique manifestation of the topological insulating phase. Here in this paper, we present a detailed investigation of BaSn2, using both ab initio and experimental methods. First-principles calculations demonstrate that this overlooked material is indeed a strong, wide-gap topological insulator with a bulk band gap of 200 meV. We characterize the surface state dependence on termination chemistry, providing guidance for experimental efforts to measure and manipulate its topological properties. Additionally, through ab initio modeling and synthesis experiments, we explore the stability and accessibility of this phase, revealing a complicated phase diagram that indicates a challenging path to obtaining single crystals.},
doi = {10.1103/PhysRevB.95.085116},
journal = {Physical Review B},
number = 8,
volume = 95,
place = {United States},
year = {2017},
month = {2}
}
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