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Document type:
Zeitschriftenaufsatz 
Author(s):
Pecchia, A.; Romano, G.; Di Carlo, A.; Gagliardi, A.; Frauenheim, T. 
Title:
Joule heating in molecular tunnel junctions: application to C60 
Abstract:
First-principle calculations based on density functional and non-equilibrium Green's functions are used to compute the power emitted in conducting molecular systems due to scattering with localized vibrations. The balance between the rate of phonons emitted and dissipated into the contacts allows the computation of the steady-state distribution of phonon quanta localized in the junction, from which we extract the local temperature reached by the molecule. The model includes two cr...    »
 
Keywords:
molecular electronics, electron-vibron scattering, power dissipation, NEGF 
Journal title:
J comput Electron (2008) 7: 384 - 389 
Year:
2008 
Year / month:
2008-05 
Quarter:
2. Quartal 
Month:
May 
Language:
en