Quantum transport properties of hybrid BN–C nanotubes: Strong spin filtering effect robust against Stone–Wales defects
We study the spin-polarized electron transport properties of hybrid BN–C nanotubes (BN–CNTs) in their pristine form and with Stone–Wales defects, namely, Cx(BN)10−x, using combined first-principles density functional theory and quantum transport simulations. We show that the band structures of prist...
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AIP Publishing LLC
2024-11-01
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| Series: | APL Materials |
| Online Access: | http://dx.doi.org/10.1063/5.0237443 |
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| author | Haiqing Wan Tong Chen Wei Hu Yee Sin Ang |
| author_facet | Haiqing Wan Tong Chen Wei Hu Yee Sin Ang |
| author_sort | Haiqing Wan |
| collection | DOAJ |
| description | We study the spin-polarized electron transport properties of hybrid BN–C nanotubes (BN–CNTs) in their pristine form and with Stone–Wales defects, namely, Cx(BN)10−x, using combined first-principles density functional theory and quantum transport simulations. We show that the band structures of pristine BN–CNTs can be sensitively tuned by their composition, transiting from the nonmagnetic semiconductor to half-semimetal and finally to a narrow gap semiconductor with increasing x. The spin-dependent current–voltage characteristics are sensitively modulated by x in the hybridized Cx(BN)10−x. The SW defect acts as an active scattering center for BN–CNTs, which decreases the overall conductance of nanotubes. Remarkably, a spin-filtering effect (SFE) with nearly 96% filtering efficiency is observed in C4(BN)6, and such a high SFE remains robust even in the presence of Stone–Wales defects. These results reveal the potential role of hybrid BN–CNT as a building block for spintronic device technology. |
| format | Article |
| id | doaj-art-3bf42716b6da4fb58ad3c2b929d1894a |
| institution | Kabale University |
| issn | 2166-532X |
| language | English |
| publishDate | 2024-11-01 |
| publisher | AIP Publishing LLC |
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| series | APL Materials |
| spelling | doaj-art-3bf42716b6da4fb58ad3c2b929d1894a2024-12-04T17:09:06ZengAIP Publishing LLCAPL Materials2166-532X2024-11-011211111103111103-710.1063/5.0237443Quantum transport properties of hybrid BN–C nanotubes: Strong spin filtering effect robust against Stone–Wales defectsHaiqing Wan0Tong Chen1Wei Hu2Yee Sin Ang3Department of Ecology and Environment, Yuzhang Normal University, Nanchang 330029, ChinaEnergy Materials Computing Center, Jiangxi University of Science and Technology, Nanchang 330013, People’s Republic of ChinaDepartment of Ecology and Environment, Yuzhang Normal University, Nanchang 330029, ChinaScience, Mathematics and Technology (SMT), Singapore University of Technology and Design, Singapore 487372, SingaporeWe study the spin-polarized electron transport properties of hybrid BN–C nanotubes (BN–CNTs) in their pristine form and with Stone–Wales defects, namely, Cx(BN)10−x, using combined first-principles density functional theory and quantum transport simulations. We show that the band structures of pristine BN–CNTs can be sensitively tuned by their composition, transiting from the nonmagnetic semiconductor to half-semimetal and finally to a narrow gap semiconductor with increasing x. The spin-dependent current–voltage characteristics are sensitively modulated by x in the hybridized Cx(BN)10−x. The SW defect acts as an active scattering center for BN–CNTs, which decreases the overall conductance of nanotubes. Remarkably, a spin-filtering effect (SFE) with nearly 96% filtering efficiency is observed in C4(BN)6, and such a high SFE remains robust even in the presence of Stone–Wales defects. These results reveal the potential role of hybrid BN–CNT as a building block for spintronic device technology.http://dx.doi.org/10.1063/5.0237443 |
| spellingShingle | Haiqing Wan Tong Chen Wei Hu Yee Sin Ang Quantum transport properties of hybrid BN–C nanotubes: Strong spin filtering effect robust against Stone–Wales defects APL Materials |
| title | Quantum transport properties of hybrid BN–C nanotubes: Strong spin filtering effect robust against Stone–Wales defects |
| title_full | Quantum transport properties of hybrid BN–C nanotubes: Strong spin filtering effect robust against Stone–Wales defects |
| title_fullStr | Quantum transport properties of hybrid BN–C nanotubes: Strong spin filtering effect robust against Stone–Wales defects |
| title_full_unstemmed | Quantum transport properties of hybrid BN–C nanotubes: Strong spin filtering effect robust against Stone–Wales defects |
| title_short | Quantum transport properties of hybrid BN–C nanotubes: Strong spin filtering effect robust against Stone–Wales defects |
| title_sort | quantum transport properties of hybrid bn c nanotubes strong spin filtering effect robust against stone wales defects |
| url | http://dx.doi.org/10.1063/5.0237443 |
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