TY - JOUR
T1 - Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene
AU - Pablo-Pedro, Ricardo
AU - Magaña-Fuentes, Miguel Angel
AU - Videa, Marcelo
AU - Kong, Jing
AU - Li, Mingda
AU - Mendoza-Cortes, Jose L.
AU - Van Voorhis, Troy
N1 - KAUST Repository Item: Exported on 2021-03-11
Acknowledged KAUST grant number(s): OSR-2015-CRG4-2634
Acknowledgements: R.P.-P., J.K., and T.V.V. acknowledge the King Abdullah University of Science and Technology for support under contract OSR-2015-CRG4-2634. R.P.-P. is thankful for the support from FEMSA and ITESM. J.L.M.-C. acknowledges start-up funds from Florida State University (FSU) and the Energy and Materials Initiative and facilities at the High Performance Material Institute (HPMI). Some of the computing for this project was performed on the HPC cluster at the Research Computing Center at the Florida State University (FSU). A portion of this work was performed at the National High Magnetic Field Laboratory, which is supported by National Science Foundation Cooperative Agreement no.DMR-1644779 and the State of Florida.
This publication acknowledges KAUST support, but has no KAUST affiliated authors.
PY - 2020/7/29
Y1 - 2020/7/29
N2 - 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).
AB - 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).
UR - http://hdl.handle.net/10754/667355
UR - https://pubs.acs.org/doi/10.1021/acs.nanolett.0c01775
UR - http://www.scopus.com/inward/record.url?scp=85090614573&partnerID=8YFLogxK
U2 - 10.1021/acs.nanolett.0c01775
DO - 10.1021/acs.nanolett.0c01775
M3 - Article
C2 - 32787169
SN - 1530-6984
VL - 20
SP - 6336
EP - 6343
JO - Nano Letters
JF - Nano Letters
IS - 9
ER -