This thesis deals with inelastic effects in electronic currents. We developed a time-dependent technique and show that this approach gives rich insight into electron-phonon coupling during transport. We compare our results with a time-independent technique and analyse the validity of our model. Finally, the results of a quantum chemistry calculation are presented in the framework of scanning tunneling miscroscopy (STM). We study the chemisorption of a tetrathiafulvalene molecule on a gold surface by performing the calculation of the charge transfer, the induced dipole, and the STM images using the density functional theory.
| Identifer | oai:union.ndltd.org:CCSD/oai:tel.archives-ouvertes.fr:tel-00469906 |
| Date | 09 July 2008 |
| Creators | Monturet, Serge |
| Publisher | Université Paul Sabatier - Toulouse III |
| Source Sets | CCSD theses-EN-ligne, France |
| Language | English |
| Detected Language | English |
| Type | PhD thesis |
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