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1.
J Chem Phys ; 158(20)2023 May 28.
Artigo em Inglês | MEDLINE | ID: mdl-37212402

RESUMO

The unique edge states of the zigzag ß-SiC7 nanoribbons aroused our attention, and therefore, based on first-principles calculations, we investigated their spin-dependent electronic transport properties by constructing controllable defects to modulate these special edge states. Interestingly, by introducing rectangular edge defects in the SiSi and SiC edge-terminated systems, not only the spin-unpolarized is successfully converted to completely spin-polarized, but also the direction of polarization can be switched, thus enabling a dual spin filter. The analyses further reveal that the two transmission channels with opposite spins are spatially separated and that the transmission eigenstates are highly concentrated at the relative edges. The specific edge defect introduced only suppresses the transmission channel at the same edge but reserves the transmission channel at the other edge. In addition, for the CSi and CC edge-terminated systems, an additional spin-down band exists due to spin splitting in the spin-up band at EF, so that besides the original spatially separated two spin-opposite channels, an extra spin channel is distributed at the upper edge, resulting in unidirectional fully spin-polarized transport. The peculiar spatially separated edge states and excellent spin filtering properties could open up further possibilities for ß-SiC7-based electronic devices in spintronics applications.

2.
Phys Chem Chem Phys ; 25(3): 2342-2348, 2023 Jan 18.
Artigo em Inglês | MEDLINE | ID: mdl-36597962

RESUMO

Among many modulation methods, strain engineering is often chosen for nanomaterials to produce tunable band gaps continuously. Inspired by the recently reported two-dimensional material PC3, we explore the tuning of strain on the spin-dependent transport properties of PC3 nanoribbons using the first-principle approach. Surprisingly, strain regulation achieves uninterrupted completely dual-spin polarization over a wide energy range near EF. Analysis reveals that the peculiar transmission spectra arise from the interesting evolution of the band structure, in which strain induces bands to shift and broaden/flatten. This results in triggering the transition of PC3NRs from bandgap-tunable bipolar magnetic semiconductors to spin-gapless semiconductors to ferromagnetic metals or half-metal magnets. Their unique performance demonstrates great potential in spintronics, and our study is expected to provide ideas and theoretical support for the design and application of novel PC3-based spintronic devices in the future.

3.
Phys Chem Chem Phys ; 25(4): 3544, 2023 Jan 27.
Artigo em Inglês | MEDLINE | ID: mdl-36636943

RESUMO

Correction for 'Rich magnetic phase transitions and completely dual-spin polarization of zigzag PC3 nanoribbons under uniaxial strain' by Hui-Min Ni et al., Phys. Chem. Chem. Phys., 2023, https://doi.org/10.1039/d2cp05066h.

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