Surface Floating 2D Bands in Layered Nonsymmorphic Semimetals: ZrSiS and Related Compounds
Abstract
Here in this work, we present a model of the surface states of nonsymmorphic semimetals. These are derived from surface mass terms that lift the high degeneracy imposed in the band structure by the nonsymmorphic bulk symmetries. Reflecting the reduced symmetry at the surface, the bulk bands are strongly modified. This leads to the creation of two-dimensional floating bands, which are distinct from Shockley states, quantum well states or topologically protected surface states. We focus on the layered semimetal ZrSiS to clarify the origin of its surface states. We demonstrate an excellent agreement between DFT calculations and ARPES measurements and present an effective four-band model in which similar surface bands appear. Finally, we emphasize the role of the surface chemical potential by comparing the surface density of states in samples with and without potassium coating. Our findings can be extended to related compounds and generalized to other crystals with nonsymmorphic symmetries.
- Authors:
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- National Science Foundation (NSF); German Research Foundation (DFG); USDOE Office of Science (SC)
- OSTI Identifier:
- 1415062
- Alternate Identifier(s):
- OSTI ID: 1422571
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Published Article
- Journal Name:
- Physical Review. X
- Additional Journal Information:
- Journal Name: Physical Review. X Journal Volume: 7 Journal Issue: 4; Journal ID: ISSN 2160-3308
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Topp, Andreas, Queiroz, Raquel, Grüneis, Andreas, Müchler, Lukas, Rost, Andreas W., Varykhalov, Andrei, Marchenko, Dmitry, Krivenkov, Maxim, Rodolakis, Fanny, McChesney, Jessica L., Lotsch, Bettina V., Schoop, Leslie M., and Ast, Christian R. Surface Floating 2D Bands in Layered Nonsymmorphic Semimetals: ZrSiS and Related Compounds. United States: N. p., 2017.
Web. doi:10.1103/PhysRevX.7.041073.
Topp, Andreas, Queiroz, Raquel, Grüneis, Andreas, Müchler, Lukas, Rost, Andreas W., Varykhalov, Andrei, Marchenko, Dmitry, Krivenkov, Maxim, Rodolakis, Fanny, McChesney, Jessica L., Lotsch, Bettina V., Schoop, Leslie M., & Ast, Christian R. Surface Floating 2D Bands in Layered Nonsymmorphic Semimetals: ZrSiS and Related Compounds. United States. https://doi.org/10.1103/PhysRevX.7.041073
Topp, Andreas, Queiroz, Raquel, Grüneis, Andreas, Müchler, Lukas, Rost, Andreas W., Varykhalov, Andrei, Marchenko, Dmitry, Krivenkov, Maxim, Rodolakis, Fanny, McChesney, Jessica L., Lotsch, Bettina V., Schoop, Leslie M., and Ast, Christian R. Thu .
"Surface Floating 2D Bands in Layered Nonsymmorphic Semimetals: ZrSiS and Related Compounds". United States. https://doi.org/10.1103/PhysRevX.7.041073.
@article{osti_1415062,
title = {Surface Floating 2D Bands in Layered Nonsymmorphic Semimetals: ZrSiS and Related Compounds},
author = {Topp, Andreas and Queiroz, Raquel and Grüneis, Andreas and Müchler, Lukas and Rost, Andreas W. and Varykhalov, Andrei and Marchenko, Dmitry and Krivenkov, Maxim and Rodolakis, Fanny and McChesney, Jessica L. and Lotsch, Bettina V. and Schoop, Leslie M. and Ast, Christian R.},
abstractNote = {Here in this work, we present a model of the surface states of nonsymmorphic semimetals. These are derived from surface mass terms that lift the high degeneracy imposed in the band structure by the nonsymmorphic bulk symmetries. Reflecting the reduced symmetry at the surface, the bulk bands are strongly modified. This leads to the creation of two-dimensional floating bands, which are distinct from Shockley states, quantum well states or topologically protected surface states. We focus on the layered semimetal ZrSiS to clarify the origin of its surface states. We demonstrate an excellent agreement between DFT calculations and ARPES measurements and present an effective four-band model in which similar surface bands appear. Finally, we emphasize the role of the surface chemical potential by comparing the surface density of states in samples with and without potassium coating. Our findings can be extended to related compounds and generalized to other crystals with nonsymmorphic symmetries.},
doi = {10.1103/PhysRevX.7.041073},
journal = {Physical Review. X},
number = 4,
volume = 7,
place = {United States},
year = {2017},
month = {12}
}
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https://doi.org/10.1103/PhysRevX.7.041073
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Cited by: 7 works
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