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MA: Fachverband Magnetismus

MA 41: Spintronics (Other Effects)

MA 41.6: Talk

Thursday, March 21, 2024, 16:15–16:30, H 2013

Role of vibronic coupling in the chirality-induced spin selectivity effect in electron transport through chiral molecules — •Rudolf Smorka, Yaling Ke, and Michael Thoss — Institute of Physics, University of Freiburg, Germany

The chirality-induced spin selectivity effect, which is the spin-dependent transmission of electrons through chiral materials, has attracted considerable interest for its potential applications in spintronics, electrochemistry, and optoelectronics, as well as shedding light on spin-selective chemical reactions and biological processes [1]. This effect, observed in various materials like double-stranded DNA, emerges from the interplay between geometrical helicity and spin-orbit interactions and is a nonequilibrium phenomenon.

Existing theoretical models, while reproducing experimental findings, often rely on unrealistic spin-orbit interaction parameters, possibly due to neglecting electron correlations. A recent vibrationally assisted spin-orbit coupling model shows promise for achieving high spin selectivities [2]. Our investigation of this model employs two methodologies: a mixed quantum-classical approach combining Ehrenfest dynamics with hierarchical equations of motion (HEOM), and a recently introduced numerically exact HEOM in matrix product state formulation [3], offering a comparative study of the role of vibrations on spin selectivity in this model.

[1] Evers, F. et al., Adv. Mater. 34, 2106629 (2022)

[2] Fransson, J., Phys. Rev. B 102, 235416 (2020)

[3] Ke, Y., Borrelli, R., Thoss, M., J. Chem. Phys. 156.19 (2022)

Keywords: Chirality; Spintronics; Quantum transport; Electron-vibrational effects