Conductance of a hydrogen molecule

Details Conductance of a hydrogen molecule Conductance of a hydrogen molecule

2002-11-27

arxiv.org/abs/cond-mat/0211635v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

revtex4, 4 pages, 4 figures

Scientific paper

Recently Smit et al. [Nature 419, 906 (2002)] have reported that a single hydrogen molecule can form a bridge between Pt electrodes, which has a conductance close to one quantum unit, carried by a single channel. We present density functional calculations explaining these experimental findings. We show that the symmetry of the molecular orbitals selects a single conduction channel. The transmission of this channel is close to unity due to a combination of the charge transfer between hydrogen and the Pt contacts and the strong hybridization between the bonding state of the molecule and the d-band of the Pt leads.

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