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Coulomb blockade in electron transport through a C$_{60}$ molecule from first principles

J. J. Palacios
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Abstract

We present results of spin-unrestricted first-principles quantum transport for a gated C$_{60}$ molecule weakly contacted to Al electrodes, making emphasis on the role played by the electronic localization and the spin degree of freedom. As expected, the conductance presents a series of peaks as a function of a gate voltage, demonstrating that transport in the Coulomb blockade regime can be properly treated within a first-principles scheme. A well-known manifestation of the interplay between Coulomb interaction and the spin degree of freedom in atoms and molecules, the Hund 's rule, determines the sequence of conductance peaks.

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J. J. Palacios. 2005-05-23. Coulomb blockade in electron transport through a C$_{60}$ molecule from first principles. https://doi.org/10.1103/physrevb.72.125424

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