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

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.

7 pages, 4 figures, submitted to Phys. Rev. B

References in corpus (8)

• The Kondo effect in C${}_{60}$ single-molecule transistors
• Electron Transport Through Molecules: Self-consistent and Non-self-consistent Approaches
• Dynamical corrections to the DFT-LDA electron conductance in nanoscale systems
• Four-electron shell structures and an interacting two-electron system in carbon nanotube quantum dots
• Magnetic and orbital blocking in Ni nanocontacts
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Cited by in corpus (4)

• Transport in magnetically ordered Pt nanocontacts
• Electronic transport through a C${}_{60}$ molecular bridge: The role of single and multiple contacts
• Ab-initio formulation of the 4-point conductance of interacting electronic systems
• Spin polarization in modulation-doped GaAs quantum wires