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Charge Redistribution and Spin Polarization Driven by Correlation Induced Electron Exchange in Chiral Molecules

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Chiral induced spin selectivity is a phenomenon that has been attributed to chirality, spin–orbit interactions, and nonequilibrium conditions, while the role of electron exchange and correlations have been investigated only… Click to show full abstract

Chiral induced spin selectivity is a phenomenon that has been attributed to chirality, spin–orbit interactions, and nonequilibrium conditions, while the role of electron exchange and correlations have been investigated only marginally until very recently. However, as recent experiments show that chiral molecules acquire a finite spin-polarization merely by being in contact with a metallic surface, these results suggest that electron correlations play a more crucial role for the emergence of the phenomenon than previously thought. Here, it is demonstrated that molecular vibrations give rise to molecular charge redistribution and accompany spin-polarization when coupling a chiral molecule to a nonmagnetic metal. The presented theory opens up new routes to construct a comprehensive picture of enantiomer separation.

Keywords: electron exchange; chiral molecules; charge redistribution; spin; spin polarization

Journal Title: Nano Letters
Year Published: 2021

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