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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2507.20172 |
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| _version_ | 1866912504344477696 |
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| author | Sun, Xi Zhang, Kai-Yuan Zhou, Shu-Zheng Fu, Hua-Hua |
| author_facet | Sun, Xi Zhang, Kai-Yuan Zhou, Shu-Zheng Fu, Hua-Hua |
| contents | Compared to traditional structural chiral materials (e.g., DNA, helicene), topological chirality in trefoil knot molecules has demonstrated multiple remarkable advantages in chirality-induced spin selectivity (CISS), including ultra-high spin polarization of nearly 90%, conductivity increased by two orders of magnitude, and high-temperature stability (up to 350$^{\circ}$C). However, the underlying physical mechanism remains elusive. This work establishes, for the first time, a fundamental theoretical framework for topological chirality-induced spin selectivity (TCISS) in trefoil knot molecules and identifies the necessary conditions for knot-driven spin selectivity. Our calculation results reveal that a trefoil knot molecule can exhibit spin polarization exceeding 60% along with significant conductivity. Notably, neither reducing the lattice number nor applying strain regulation significantly diminishes this ultra-high spin polarization, highlighting its robustness. Importantly, when the topological knot degenerates into a trivial structure, accompanied by the transition from topological chirality to structural chirality, the spin polarization sharply declines, demonstrating a strong correlation between the ultrahigh spin polarization and the knot topology. Our theory not only successfully elucidates the physical mechanism of TCISS, but also uncovers a new spin-polarized transport phenomenon termed knot-driven spin selectivity, offering new guiding principles for designing nonmagnetic materials for spintronics device applications. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2507_20172 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Knot-Driven Spin Selectivity: Topological Chirality-Induced Robust Spin Polarization in Molecular Knots Sun, Xi Zhang, Kai-Yuan Zhou, Shu-Zheng Fu, Hua-Hua Materials Science Compared to traditional structural chiral materials (e.g., DNA, helicene), topological chirality in trefoil knot molecules has demonstrated multiple remarkable advantages in chirality-induced spin selectivity (CISS), including ultra-high spin polarization of nearly 90%, conductivity increased by two orders of magnitude, and high-temperature stability (up to 350$^{\circ}$C). However, the underlying physical mechanism remains elusive. This work establishes, for the first time, a fundamental theoretical framework for topological chirality-induced spin selectivity (TCISS) in trefoil knot molecules and identifies the necessary conditions for knot-driven spin selectivity. Our calculation results reveal that a trefoil knot molecule can exhibit spin polarization exceeding 60% along with significant conductivity. Notably, neither reducing the lattice number nor applying strain regulation significantly diminishes this ultra-high spin polarization, highlighting its robustness. Importantly, when the topological knot degenerates into a trivial structure, accompanied by the transition from topological chirality to structural chirality, the spin polarization sharply declines, demonstrating a strong correlation between the ultrahigh spin polarization and the knot topology. Our theory not only successfully elucidates the physical mechanism of TCISS, but also uncovers a new spin-polarized transport phenomenon termed knot-driven spin selectivity, offering new guiding principles for designing nonmagnetic materials for spintronics device applications. |
| title | Knot-Driven Spin Selectivity: Topological Chirality-Induced Robust Spin Polarization in Molecular Knots |
| topic | Materials Science |
| url | https://arxiv.org/abs/2507.20172 |