In Quest of Molecular Materials for Quantum Cellular Automata: Exploration of the Double Exchange in the Two-Mode Vibronic Model of a Dimeric Mixed Valence Cellстатья
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Дата последнего поиска статьи во внешних источниках: 30 июня 2021 г.
Аннотация:In this article, we apply the two-mode vibronic model to the study of the dimeric molecularmixed-valence cell for quantum cellular automata. As such, we consider a multielectron mixedvalence binuclear d2 d1–type cluster, in which the double exchange, as well as the Heisenberg-Dirac-Van Vleck exchange interactions are operative, and also the local (“breathing”) and intercentervibrational modes are taken into account. The calculations of spin-vibronic energy spectra andthe “cell-cell”-response function are carried out using quantum-mechanical two-mode vibronicapproach based on the numerical solution of the dynamic vibronic problem. The obtained resultsdemonstrate a possibility of combining the function of molecular QCA with that of spin switching inone electronic device and are expected to be useful from the point of view of the rational design ofsuch multifunctional molecular electronic devices.