Tuning of the electronic structures and spin-dependent transport properties of phosphorene nanoribbons by vanadium substitutional doping
| Autor: | Yulin Feng, S.J. Zhu, Huihui Zhu, Saiyu Wang, Na Liu, K.L. Yao |
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| Rok vydání: | 2022 |
| Předmět: |
Materials science
Spintronics Spin polarization Condensed matter physics Doping Condensed Matter Physics Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials Crystal Condensed Matter::Materials Science Phosphorene chemistry.chemical_compound chemistry Zigzag Condensed Matter::Strongly Correlated Electrons Electron configuration Spin-½ |
| Zdroj: | Physica E: Low-dimensional Systems and Nanostructures. 138:115067 |
| ISSN: | 1386-9477 |
| DOI: | 10.1016/j.physe.2021.115067 |
| Popis: | Based on vanadium-doped zigzag phosphorene nanoribbon (ZPNRs), we investigate the electronic structures and spin-dependent transport properties by the first-principles calculations in combination with the nonequilibrium Green's function approach. We find that the ZPNRs can be tuned from nonmagnetic metals to magnetic metals or half-metals by different doping positions, which are caused by the hybridization among different electron orbitals under the crystal field. Moreover, a robust negative differential resistance effect is observed in all studied devices, and a perfect spin-filter effect with almost 100% spin polarization can be found under low bias. We analyze the transport properties in detail from the viewpoint of the transmission spectrum and molecular energy levels. These results indicate that the vanadium-doped ZPNRs have potential applications as multi-functional spintronic devices. |
| Databáze: | OpenAIRE |
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