Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and Si
The electronic and optical properties of B or Si single-doped phosphorene and ones of B and Si co-doped phosphorene are computed and compared by first-principles calculations. By B doping, the bandgap of phosphorene decreases from 0.92 to 0.65 eV, while Si doping directly changes the system from a d...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2022-06-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0096441 |
| _version_ | 1818536327480606720 |
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| author | Rong Qiao Xiao Dong Yangfan Li |
| author_facet | Rong Qiao Xiao Dong Yangfan Li |
| author_sort | Rong Qiao |
| collection | DOAJ |
| description | The electronic and optical properties of B or Si single-doped phosphorene and ones of B and Si co-doped phosphorene are computed and compared by first-principles calculations. By B doping, the bandgap of phosphorene decreases from 0.92 to 0.65 eV, while Si doping directly changes the system from a direct bandgap semiconductor to metal. Compared with pristine phosphorene, the optical absorption of Si-doped phosphorene is red shifted. The optical absorption of black phosphorus can be regulated by changing the distance and position between B and Si. Therefore, bandgap engineering can be used to directly tune the optical absorption of the phosphorene system by the co-doping of B and Si. |
| first_indexed | 2024-12-11T18:36:31Z |
| format | Article |
| id | doaj.art-cf64321363bb46ff8abd23b11eb1fd21 |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-12-11T18:36:31Z |
| publishDate | 2022-06-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-cf64321363bb46ff8abd23b11eb1fd212022-12-22T00:54:45ZengAIP Publishing LLCAIP Advances2158-32262022-06-01126065031065031-510.1063/5.0096441Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and SiRong Qiao0Xiao Dong1Yangfan Li2School of Physics, Henan Normal University, 453007 Xinxiang, ChinaSchool of Physics, Henan Normal University, 453007 Xinxiang, ChinaSchool of Physics, Henan Normal University, 453007 Xinxiang, ChinaThe electronic and optical properties of B or Si single-doped phosphorene and ones of B and Si co-doped phosphorene are computed and compared by first-principles calculations. By B doping, the bandgap of phosphorene decreases from 0.92 to 0.65 eV, while Si doping directly changes the system from a direct bandgap semiconductor to metal. Compared with pristine phosphorene, the optical absorption of Si-doped phosphorene is red shifted. The optical absorption of black phosphorus can be regulated by changing the distance and position between B and Si. Therefore, bandgap engineering can be used to directly tune the optical absorption of the phosphorene system by the co-doping of B and Si.http://dx.doi.org/10.1063/5.0096441 |
| spellingShingle | Rong Qiao Xiao Dong Yangfan Li Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and Si AIP Advances |
| title | Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and Si |
| title_full | Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and Si |
| title_fullStr | Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and Si |
| title_full_unstemmed | Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and Si |
| title_short | Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and Si |
| title_sort | regulation of electronic and optical properties of monolayer black phosphorus by co doping b and si |
| url | http://dx.doi.org/10.1063/5.0096441 |
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