Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene
Name
1912.00333.pdf
Description
Accepted version
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3.46 MB
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Unknown
Checksum (MD5)
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Author(s)
Pablo Pedro, Ricardo
Magaña-Fuentes, Miguel Angel
Videa, Marcelo
Kong, Jing
Li, Mingda
Mendoza-Cortes, Jose L
Van Voorhis, Troy
Date Issued
2020
Journal
Nano Letters
Publisher
American Chemical Society (ACS)
Version
Author's final manuscript
Abstract
Copyright © 2020 American Chemical Society. We investigate the effect of lattice disorder and local correlation effects in finite and periodic silicene structures caused by carbon doping using first-principles calculations. For both finite and periodic silicene structures, the electronic properties of carbon-doped monolayers are dramatically changed by controlling the doping sites in the structures, which is related to the amount of disorder introduced in the lattice and electron-electron correlation effects. By changing the position of the carbon dopants, we found that a Mott-Anderson transition is achieved. Moreover, the band gap is determined by the level of lattice disorder and electronic correlation effects. Finally, these structures are ferromagnetic even under disorder which has potential applications in Si-based nanoelectronics, such as field-effect transistors (FETs).
MIT Department
Massachusetts Institute of Technology. Department of Chemistry
Massachusetts Institute of Technology. Department of Nuclear Science and Engineering
Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science
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Creative Commons Attribution-Noncommercial-Share Alike
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DOI of Published Version
https://doi.org/10.1021/ACS.NANOLETT.0C01775
