Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene
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...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society (ACS)
2021
|
| Online Access: | https://hdl.handle.net/1721.1/132301 |
| _version_ | 1811085807469985792 |
|---|---|
| author | Pablo-Pedro, Ricardo Magaña-Fuentes, Miguel Angel Videa, Marcelo Kong, Jing Li, Mingda Mendoza-Cortes, Jose L Van Voorhis, Troy |
| author_facet | Pablo-Pedro, Ricardo Magaña-Fuentes, Miguel Angel Videa, Marcelo Kong, Jing Li, Mingda Mendoza-Cortes, Jose L Van Voorhis, Troy |
| author_sort | Pablo-Pedro, Ricardo |
| collection | MIT |
| description | 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). |
| first_indexed | 2024-09-23T13:15:59Z |
| format | Article |
| id | mit-1721.1/132301 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T13:15:59Z |
| publishDate | 2021 |
| publisher | American Chemical Society (ACS) |
| record_format | dspace |
| spelling | mit-1721.1/1323012021-09-21T03:30:44Z Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene Pablo-Pedro, Ricardo Magaña-Fuentes, Miguel Angel Videa, Marcelo Kong, Jing Li, Mingda Mendoza-Cortes, Jose L Van Voorhis, Troy 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). 2021-09-20T18:21:45Z 2021-09-20T18:21:45Z 2021-01-08T18:15:20Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/132301 en 10.1021/ACS.NANOLETT.0C01775 Nano Letters Creative Commons Attribution-Noncommercial-Share Alike http://creativecommons.org/licenses/by-nc-sa/4.0/ application/pdf American Chemical Society (ACS) arXiv |
| spellingShingle | Pablo-Pedro, Ricardo Magaña-Fuentes, Miguel Angel Videa, Marcelo Kong, Jing Li, Mingda Mendoza-Cortes, Jose L Van Voorhis, Troy Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene |
| title | Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene |
| title_full | Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene |
| title_fullStr | Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene |
| title_full_unstemmed | Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene |
| title_short | Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene |
| title_sort | understanding disorder in 2d materials the case of carbon doping of silicene |
| url | https://hdl.handle.net/1721.1/132301 |
| work_keys_str_mv | AT pablopedroricardo understandingdisorderin2dmaterialsthecaseofcarbondopingofsilicene AT maganafuentesmiguelangel understandingdisorderin2dmaterialsthecaseofcarbondopingofsilicene AT videamarcelo understandingdisorderin2dmaterialsthecaseofcarbondopingofsilicene AT kongjing understandingdisorderin2dmaterialsthecaseofcarbondopingofsilicene AT limingda understandingdisorderin2dmaterialsthecaseofcarbondopingofsilicene AT mendozacortesjosel understandingdisorderin2dmaterialsthecaseofcarbondopingofsilicene AT vanvoorhistroy understandingdisorderin2dmaterialsthecaseofcarbondopingofsilicene |