Journal
PHYSICAL REVIEW B
Volume 72, Issue 12, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.72.125424
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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. As expected, the conductance presents a series of peaks as a function of a gate voltage whenever the charge in the molecule changes by one, 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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