Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2009-05-20
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
Accepted in Phys. Rev. B
Scientific paper
We present first-principles calculations of the dI/dV characteristics of an H2 molecule sandwiched between Au and Pt electrodes in the presence of electron-phonon interactions. The conductance is found to decrease by a few percentage at threshold voltages corresponding to the excitation energy of longitudinal vibrations of the H2 molecule. In the case of Pt electrodes, the transverse vibrations can mediate transport through otherwise non-transmitting Pt $d$-channels leading to an increase in the differential conductance even though the hydrogen junction is characterized predominately by a single almost fully open transport channel. In the case of Au, the transverse modes do not affect the dI/dV because the Au d-states are too far below the Fermi level. A simple explanation of the first-principles results is given using scattering theory. Finally, we compare and discuss our results in relation to experimental data.
Jacobsen Karsten W.
Kristensen I. S.
Paulsson Magnus
Thygesen Kristian S.
No associations
LandOfFree
Inelastic Scattering in Metal-H2-Metal Junctions does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Inelastic Scattering in Metal-H2-Metal Junctions, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Inelastic Scattering in Metal-H2-Metal Junctions will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-242343