Spin dependence of charge dynamics and group velocity in chiral moleculesShow others and affiliations
2026 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 113, no 23, article id 235414Article in journal (Refereed) Published
Abstract [en]
Chiral molecules are known to preferentially select electrons with a particular spin state, an effect termed chirality-induced spin selectivity (CISS). In this work, the transient CISS dynamics in a chiral molecule are investigated through time-dependent quantum-transport simulations, an important step toward further understanding CISS and its application in devices such as magnetoresistive random access memories and spin-based quantum computers. We show that the spin-dependent group velocity of electrons is a possible contributor to a nonzero occupancy-based spin polarization throughout the chiral molecule. Contrary to the case in which a chiral molecule is connected to a single lead, this spin polarization persists into the steady state when two leads are connected. We show that the simulated spin polarization qualitatively agrees with a reference experiment, as evidenced by the distinct magnetic-field signatures calculated from the spin polarization within a monolayer of chiral molecules.
Place, publisher, year, edition, pages
American Physical Society, 2026. Vol. 113, no 23, article id 235414
National Category
Condensed Matter Physics Theoretical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-593816DOI: 10.1103/1g18-y6f1ISI: 001797999200001OAI: oai:DiVA.org:uu-593816DiVA, id: diva2:2084728
2026-07-062026-07-062026-07-06Bibliographically approved