mriselMagnetic Resonance in SolidsMagnetic Resonance in Solids2072-5981Kazan Federal University10.26907/mrsej-24216mrisel-269Research ArticleСтатьиQuantum cellular automata based on mixed-valence molecules: Some theoretical hints for cell designTsukerblatB.

84105 Beer-Sheva

tsuker@bgu.ac.ilBelonovichV.

Chernogolovka 142432

Dolgoprudny 141701

PaliiA.

Chernogolovka 142432

Ben-Gurion University of the NegevIsraelFederal Research Center of Problems of Chemical Physics and Medicine Chemistry; Moscow Institute of Physics and TechnologyRussian FederationFederal Research Center of Problems of Chemical Physics and Medicine ChemistryRussian Federation202429082024262SPECIAL ISSUE dedicated to Boris Z. Malkin's 85th birthday24216 (14 pp.)Copyright © Tsukerblat B., Belonovich V., Palii A., 20242024Tsukerblat B., Belonovich V., Palii A.Tsukerblat B., Belonovich V., Palii A.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://www.mrsej.ru/jour/article/view/269

The purpose of this short review article is to discuss at a simple qualitative level some key requirements the mixed-valence (MV) molecules should meet to be potentially applicable as cells of quantum cellular automata (QCA), and also how different interactions affect their fulfillment. We focus on two requirements, which are closely related to encoding and propagating of binary information within the electronic circuits and power dissipation caused by the logical operations. The physical features behind these requirements are the following: the ability of MV molecules to be efficiently switched between two logical binary states which assumes high polarizability manifesting itself in a strong non-linear cell-cell response and a low heat release caused by molecular rearrangements accompanying logical operations. We discuss the role of such electronic interactions as intramolecular electron transfer, intramolecular interelectronic Coulomb repulsion and the interaction of the excess electrons of a molecular cell with the electric field produced by the neighboring polarized cell. The pivotal role of the interaction of the excess electrons with the molecular vibrations (pseudo Jahn-Teller vibronic coupling) is discussed as well. Finally, the optimal conditions expressed as a parametric regime ensuring simultaneous fulfillment of the aforenamed requirements are discussed.

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The authors declare that there are no conflicts of interest present.