Should it really be that hard to model the chirality induced spin selectivity effect?

The chirality induced spin selectivity effect remains a challenge to capture with theoretical modeling. While at least a decade was spent on independent electron models, which completely fail to reproduce the experimental results, the lesson to be drawn out of these efforts is that a correct modeling of the effect has to include interactions among the electrons. In the discussion of the phenomenon, one inevitably encounters the Onsager reciprocity and time-reversal symmetry and questions whether the observations violate these fundamental concepts or whether we have not been able to identify what it is that makes those concepts redundant in this context. The experimental fact is that electrons spin-polarize by one or another reason when traversing chiral molecules. The setups are simple enough to enable effective modeling; however, overcoming the grand failures of the theoretical efforts, thus far, and formulating a theory that is founded on microscopic modeling appears to be a challenge. A discussion of the importance of electron correlations is outlined, pointing to possible spontaneous breaking of time-reversal symmetry and Onsager reciprocity.

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Publication Details

Journal
APL Computational Physics
Published
2025-10-23
DOI
https://doi.org/10.1063/5.0289548
Citations
4
Primary Topic
Molecular Junctions and Nanostructures
Type
article
Field-Weighted Citation Impact
2.92
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article

Should it really be that hard to model the chirality induced spin selectivity effect?

Jonas Fransson
4 citations
APL Computational Physics
Molecular Junctions and Nanostructures
2.92
article

Should it really be that hard to model the chirality induced spin selectivity effect?

Jonas Fransson
article en
4 citations

Abstract

The chirality induced spin selectivity effect remains a challenge to capture with theoretical modeling. While at least a decade was spent on independent electron models, which completely fail to reproduce the experimental results, the lesson to be drawn out of these efforts is that a correct modeling of the effect has to include interactions among the electrons. In the discussion of the phenomenon, one inevitably encounters the Onsager reciprocity and time-reversal symmetry and questions whether the observations violate these fundamental concepts or whether we have not been able to identify what it is that makes those concepts redundant in this context. The experimental fact is that electrons spin-polarize by one or another reason when traversing chiral molecules. The setups are simple enough to enable effective modeling; however, overcoming the grand failures of the theoretical efforts, thus far, and formulating a theory that is founded on microscopic modeling appears to be a challenge. A discussion of the importance of electron correlations is outlined, pointing to possible spontaneous breaking of time-reversal symmetry and Onsager reciprocity.

APL Computational PhysicsVol. 1(2)
Uppsala University (SE)
Openalex Percentile: Top 8%
Molecular Junctions and Nanostructures
2.92
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