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Incoherent electron-phonon scattering in octanethiols

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.

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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 ...


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Item Type:Article
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
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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:13 Mar 2014 10:02
Item ID:1742
Owner Only: item control page


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