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Titel:

Joule heating in molecular tunnel junctions: application to C60

Dokumenttyp:
Zeitschriftenaufsatz
Autor(en):
Pecchia, A.; Romano, G.; Di Carlo, A.; Gagliardi, A.; Frauenheim, T.
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 critica...     »
Stichworte:
molecular electronics, electron-vibron scattering, power dissipation, NEGF
Zeitschriftentitel:
J comput Electron 7: 384 - 389 2008-05
Jahr:
2008
Jahr / Monat:
2008-05
Quartal:
2. Quartal
Monat:
May
Sprache:
en
Volltext / DOI:
doi:10.1007/s10825-008-0219-1
WWW:
http://link.springer.com/article/10.1007/s10825-008-0219-1#page-1
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