2005/05/23 by J. J. Palacios
Chemistry · Engineering · Materials Science · Mathematics · Physics and Astronomy · #Algorithm #Charge (physics) #Chemistry #Condensed matter physics #Conductance #Coulomb #Coulomb blockade #Electron #Electron transport chain #Function (biology) #Graphene research and applications #Mathematics #Molecular Junctions and Nanostructures #Molecule #Physics #Quantum and electron transport phenomena #Quantum mechanics #Series (stratigraphy) #Spin (aerodynamics) #Thermodynamics #Voltage #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.72.125424
published as Phys. Rev. B 72, 125424 (2005) · 7 pages, 4 figures, submitted to Phys. Rev. B
arxiv created 2005/05/23 · openalex publication_date 2005/09/16 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We present results of spin-unrestricted first-principles quantum transport for a gated C60 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.