Pecchia, Alessandro and Carlo, Aldo Di and Gagliardi, Alessio and Sanna, Simone and Frauenheim, Thomas and Gutiérrez, Rafael (2004) Incoherent electron-phonon scattering in octanethiols. Nano Letters 4 (11), pp. 2109-2114.
Download (207kB) - Repository staff only
Other URL: http://dx.doi.org/10.1021/nl048841h
We investigate the influence of molecular vibrations on the tunneling of electrons through an octane-thiolate sandwiched between two gold contacts. The coherent and incoherent tunneling currents are computed using the non-equilibrium Green's functions formalism. Both the system Hamiltonian and the electron-phonon interaction are obtained from first-principles DFT calculations, including a ...
Export bibliographical data
|Institutions:||Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Gianaurelio Cuniberti|
Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Klaus Richter
|Projects:||Volkswagen Stiftung: Molecular Computing|
|Dewey Decimal Classification:||500 Science > 530 Physics|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||Yes|
|Deposited On:||20 Mar 2007|
|Last Modified:||08 Apr 2016 09:24|