Electronic and spin states at edges of finite p-orbital helical atomic chain

Takemitsu Kato*, Yasuhiro Utsumi, Ora Entin-Wohlman, Amnon Aharony

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


In connection to the chiral-induced spin selectivity effect, we theoretically analyze the electronic and spin states of edges of a finite p-orbital helical atomic chain with the intra-atomic spin-orbit interaction. This model can host the spin-filtering state in which two up-spins propagate in one direction and two down-spins propagate in the opposite direction without breaking the time-reversal symmetry (TRS). The enhancement of charge modulations concentrated at the edges due to the evanescent states is induced, although the spin density is absent because of the TRS. A Zeeman field at an edge of the atomic chain, which breaks the TRS, yields a finite spin polarization, whose direction depends on the chirality of the molecule. The chirality change induces a reasonable amount of the energy difference, which may provide an insight into the enantioselective adsorption of chiral molecules on the ferromagnetic surface.

Original languageEnglish
Article number244101
JournalJournal of Chemical Physics
Issue number24
StatePublished - 28 Dec 2023


FundersFunder number
Spintronics Research Network of Japan
Japan Society for the Promotion of Science20H02562, 20H01827, 18KK0385
Marubun Research Promotion Foundation


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