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Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene
Name
1912.00333.pdf
Description
Accepted version
Size
3.46 MB
Format
Adobe PDF
Checksum (MD5)
e3c4dcdadfdb1c83eabdf4c30070f600
Author(s)
Pablo-Pedro, Ricardo
Magaña-Fuentes, Miguel Angel
Videa, Marcelo
Kong, Jing
Li, Mingda
Mendoza-Cortes, Jose L
Van Voorhis, Troy
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).
Terms of Use
Creative Commons Attribution-Noncommercial-Share Alike
Persistent DSpace Link
DOI of Published Version
10.1021/ACS.NANOLETT.0C01775
