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

Helical orbitals in electrical unidirectional molecular motors

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

Date of publication of this fulltext: 11 Mar 2026 06:04
Article
DOI to cite this document: 10.5283/epub.78921

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Abstract

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.



Involved Institutions


Details

Item typeArticle
Journal or Publication TitlePhysical Review Research
Publisher:American Physical Society (APS)
Volume:8
Number of Issue or Book Chapter:1
Page Range:013270
Date16 October 2025
InstitutionsPhysics > Halle-Berlin-Regensburg Cluster of Excellence CCE
Physics > Institute of Theroretical Physics > Chair Ferdinand Evers
Regensburg Center for UltrafastNanoscopy (RUN)
Projects
Funded by: Deutsche Forschungsgemeinschaft (DFG) (314695032)
Funded by: Deutsche Forschungsgemeinschaft (DFG) (UNSPECIFIED)
Funded by: Deutsche Forschungsgemeinschaft (DFG) (533767171)
Identification Number
ValueType
10.1103/zx3k-hkphDOI
2510.15181v1arXiv ID
Related URLs
URLURL Type
https://dx.doi.org/10.5281/zenodo.17360146Software
Dewey Decimal Classification500 Science > 530 Physics
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgPartially
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-789214
Item ID78921

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