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Marek, Štěpán ; Wulfhekel, Wulf ; Evers, Ferdinand ; Korytár, Richard

Helical orbitals in electrical uni-directional molecular motors

Marek, Štěpán , Wulfhekel, Wulf , Evers, Ferdinand und Korytár, Richard (2025) Helical orbitals in electrical uni-directional molecular motors. Physical Review Research 8 (1), 013270.

Veröffentlichungsdatum dieses Volltextes: 19 Jan 2026 05:23
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.78461

WarnungEs ist eine neuere Version dieses Eintrags verfügbar.

Zusammenfassung

The generation of unidirectional motion has been a long-standing challenge in engineering of molecular motors. Here, a mechanism driving the rotation is presented based on electron current through helical orbitals on a -bonded carbon chain. Such electron current through helical orbitals has been shown to be circulating around the carbon chain. It is natural to expect that the associated ...

The generation of unidirectional motion has been a long-standing challenge in engineering of molecular motors. Here, a mechanism driving the rotation is presented based on electron current through helical orbitals on a -bonded carbon chain. Such electron current through helical orbitals has been shown to be circulating around the carbon chain. It is natural to expect that the associated electronic angular momentum drives a rotation when the current is turned on. As intuitive as this relation might seem, it is also incomplete because a formal definition of helicality in terms of a physical observable has not yet been given. Such a definition is proposed here. Based on this definition, we show how helicality determines the motor's sense of rotation. We exemplify the relation between helicality and angular momentum in Hückel models of linear carbon chains (cumulenes and oligoynes). We attribute the previously reported opposite helicality sense of frontier orbitals (HOMO and LUMO) to the approximate sub-lattice symmetry. For oligoynes, this symmetry is hidden in the sense that it does not reduce to a mere labeling of atoms. Sub-lattice symmetry, combined with time-reversal invariance, allows us to derive Onsager-type reciprocal relations of various linear response coefficients, dictating e.g. an odd energy dependence of angular momentum response to voltage bias. We propose an observable consequence of the approximate sub-lattice symmetry: If the carbon chain is employed as an axle of a molecular rotor, the sense of rotation is independent on the direction of the current.



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Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftPhysical Review Research
Verlag:American Physical Society
Band:8
Nummer des Zeitschriftenheftes oder des Kapitels:1
Seitenbereich:013270
Datum16 Oktober 2025
InstitutionenPhysik > Halle-Berlin-Regensburg Cluster of Excellence CCE
Physik > Institut für Theoretische Physik > Lehrstuhl Ferdinand Evers
Regensburg Center for Ultrafast Nanoscopy (RUN)
Projekte
Gefördert von: Deutsche Forschungsgemeinschaft (DFG) (314695032)
Gefördert von: Deutsche Forschungsgemeinschaft (DFG) (Nicht ausgewählt)
Gefördert von: Deutsche Forschungsgemeinschaft (DFG) (533767171)
Identifikationsnummer
WertTyp
10.1103/zx3k-hkphDOI
2510.15181v1arXiv-ID
Verwandte URLs
URLURL Typ
https://dx.doi.org/10.5281/zenodo.17360146Software
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 530 Physik
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenZum Teil
URN der UB Regensburgurn:nbn:de:bvb:355-epub-784619
Dokumenten-ID78461

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