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Title:

Joule heating in molecular tunnel junctions: application to C60

Document type:
Zeitschriftenaufsatz
Author(s):
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...     »
Keywords:
molecular electronics, electron-vibron scattering, power dissipation, NEGF
Journal title:
J comput Electron 7: 384 - 389 2008-05
Year:
2008
Year / month:
2008-05
Quarter:
2. Quartal
Month:
May
Language:
en
Fulltext / 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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