Chirality-induced spin selectivity in 2D RP and DJ perovskites: a computational approach
Ettore Bartalucci a, Ursula Röthlisberger a
a Laboratory of Computational Chemistry and Biochemistry, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland
Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV26)
Uppsala, Sweden, 2026 May 18th - 20th
Organizers: Gerrit Boschloo, Ellen Moons, Feng Gao and Anders Hagfeldt
Poster, Ettore Bartalucci, 247
Publication date: 11th March 2026

Electrons moving through a chiral medium can acquire preferential spin states, leading to spin polarization. This phenomenon is known as chirality-induced spin selectivity (CISS) and has applications in low-power spintronic devices, due to its ability to create spin-polarized electrons without the need of external magnets. [1] While spin-filtering has been experimentally observed, a unified theoretical framework for CISS is still an open challenge. [2,3] 

In this contribution, I will present preliminary calculations on the chirality-induced effects in various chiral 2D metal-halide perovskites (MHPs). DFT calculations allow to address the interplay and effect of spin-orbit coupling and chiral organic medium on the spin splitting. Although still at an early stage, information from band structures and spin-resolved calculations can provide atomic-level insights on the mechanisms contributing to the observed spin-selectivity.  

 

References: 

[1] K. Ray, S.P. Ananthavel, D.H. Waldeck, R. Naaman, Asymmetric Scattering of Polarized Electrons by Organized Organic Films of Chiral Molecules, 1999. 

[2] Lu, H., Wang, J., Xiao, C., Pan, X., Chen, X., Brunecky, R., ... & Vardeny, Z. V. (2019). Spin-dependent charge transport through 2D chiral hybrid lead-iodide perovskites. Science advances, 5(12), eaay0571. 

[3] Fransson, J. (2025). Should it really be that hard to model the chirality induced spin selectivity effect?. APL Computational Physics, 1(2). 

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