Vibrationally-mediated Dzyaloshinskii-Moriya interaction as the origin of Chirality-Induced Spin Selectivity in donor-acceptor molecules

Fuente: arXiv
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Main Authors: Chiesa, Alessandro, Huu, D. K. Andrea Phan, Cantarella, Arianna, Celada, Leonardo, Wasielewski, Michael R., Santini, Paolo, Carretta, Stefano
Format: Preprint
Published: 2026
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author Chiesa, Alessandro
Huu, D. K. Andrea Phan
Cantarella, Arianna
Celada, Leonardo
Wasielewski, Michael R.
Santini, Paolo
Carretta, Stefano
author_facet Chiesa, Alessandro
Huu, D. K. Andrea Phan
Cantarella, Arianna
Celada, Leonardo
Wasielewski, Michael R.
Santini, Paolo
Carretta, Stefano
contents Chirality-induced spin selectivity (CISS) was recently observed in photo-excited donor-chiral bridge-acceptor molecules, but a predictive theory able to explain available experiments is still lacking. Here we show that low-energy torsional modes modulating hopping and spin-orbit coupling give rise to a Dzyaloshinskii-Moriya interaction between the transferred electron and the one sitting on the donor, producing high spin polarization for perfectly realistic parameters. Our model introduces a low energy scale in the spin dynamics which explains the magnetic field dependence observed in EPR measurements and predicts a non-trivial temperature dependence, as demonstrated by numerical simulations. The present theory lays the foundations for future test-bed experiments and for the design of applications in spintronics and quantum technologies.
format Preprint
id arxiv_https___arxiv_org_abs_2604_03210
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Vibrationally-mediated Dzyaloshinskii-Moriya interaction as the origin of Chirality-Induced Spin Selectivity in donor-acceptor molecules
Chiesa, Alessandro
Huu, D. K. Andrea Phan
Cantarella, Arianna
Celada, Leonardo
Wasielewski, Michael R.
Santini, Paolo
Carretta, Stefano
Mesoscale and Nanoscale Physics
Chirality-induced spin selectivity (CISS) was recently observed in photo-excited donor-chiral bridge-acceptor molecules, but a predictive theory able to explain available experiments is still lacking. Here we show that low-energy torsional modes modulating hopping and spin-orbit coupling give rise to a Dzyaloshinskii-Moriya interaction between the transferred electron and the one sitting on the donor, producing high spin polarization for perfectly realistic parameters. Our model introduces a low energy scale in the spin dynamics which explains the magnetic field dependence observed in EPR measurements and predicts a non-trivial temperature dependence, as demonstrated by numerical simulations. The present theory lays the foundations for future test-bed experiments and for the design of applications in spintronics and quantum technologies.
title Vibrationally-mediated Dzyaloshinskii-Moriya interaction as the origin of Chirality-Induced Spin Selectivity in donor-acceptor molecules
topic Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2604.03210