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cond-mat.mtrl-sci2003
Electronic transport and vibrational modes in the smallest molecular bridge: H2 in Pt nanocontacts
Yamila Garcia, J. J. Palacios, E. San Fabian +3
We present a state-of-the-art first-principles analysis of electronic transport in a Pt nanocontact in the presence of H2 which has been recently reported by Smit et al. in Nature…
cond-mat.mtrl-sci2002
First-principles phase-coherent transport in metallic nanotubes with realistic contacts
J. J. Palacios, A. J. Perez-Jimenez, E. Louis +2
We present first-principles calculations of phase coherent electron transport in a carbon nanotube (CNT) with realistic contacts. We focus on the zero-bias response of open metalli…