Current-Driven Symmetry Breaking and Spin-Orbit Polarization in Chiral Wires
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arXiv
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| Format: | Preprint |
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2025
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| author | Jeong, Uiseok Hill, Daniel Sisakht, Esmaeil Taghizadeh Yan, Binghai Rubio, Angel Ullrich, Carsten A. Park, Noejung |
| author_facet | Jeong, Uiseok Hill, Daniel Sisakht, Esmaeil Taghizadeh Yan, Binghai Rubio, Angel Ullrich, Carsten A. Park, Noejung |
| contents | The spin dynamics of electrons in chiral molecular systems remain a topic of intense interest, particularly regarding whether geometric chirality inherently induces spin polarization in current-carrying electrons. In this work, we employ ab initio real-time time-dependent density functional theory (rt-TDDFT) to directly simulate the interplay between charge current, spin, and orbital. This real-time tracking extends beyond perturbative treatments, and we analyze how nonequilibrium currents effectively lift the symmetry constraints of screw rotation and time-reversal symmetry. We find that the emergence of spin and orbital angular momenta is dynamically correlated with a concomitant loss of translational (linear) momentum, which we interpret as an intrinsic consequence of current-driven symmetry lowering. The implications of this mechanism for chirality-induced spin selectivity and spintronic device design are discussed. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2508_19519 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Current-Driven Symmetry Breaking and Spin-Orbit Polarization in Chiral Wires Jeong, Uiseok Hill, Daniel Sisakht, Esmaeil Taghizadeh Yan, Binghai Rubio, Angel Ullrich, Carsten A. Park, Noejung Computational Physics The spin dynamics of electrons in chiral molecular systems remain a topic of intense interest, particularly regarding whether geometric chirality inherently induces spin polarization in current-carrying electrons. In this work, we employ ab initio real-time time-dependent density functional theory (rt-TDDFT) to directly simulate the interplay between charge current, spin, and orbital. This real-time tracking extends beyond perturbative treatments, and we analyze how nonequilibrium currents effectively lift the symmetry constraints of screw rotation and time-reversal symmetry. We find that the emergence of spin and orbital angular momenta is dynamically correlated with a concomitant loss of translational (linear) momentum, which we interpret as an intrinsic consequence of current-driven symmetry lowering. The implications of this mechanism for chirality-induced spin selectivity and spintronic device design are discussed. |
| title | Current-Driven Symmetry Breaking and Spin-Orbit Polarization in Chiral Wires |
| topic | Computational Physics |
| url | https://arxiv.org/abs/2508.19519 |