Publication: Research - peer-review › Journal article – Annual report year: 1999
We consider the effect of a finite voltage bias on the conductance of single-atom gold contacts. We employ a nonorthogonal spn-tight-binding Hamiltonian combined with a local charge neutrality assumption. The conductance and charge distributions for finite bias are calculated using the nonequilibrium-Green-function formalism. We calculate the voltage drop through the contacts and find the main drop located near the negative electrode. We argue that this is due to the filled d-state resonances. The conduction is analyzed in terms of transmission eigenchannels and density of states of the eigenchannels projected onto tight-binding orbitals. We find a single almost fully transmitting channel with mainly s character for low bias while for high bias this channel becomes less transmitting and additional channels involving only d orbitals start to conduct.
|Journal||Physical Review B (Condensed Matter and Materials Physics)|
|State||Published - 1999|
Copyright (1999) by the American Physical Society.
|Citations||Web of Science® Times Cited: 122|
- TRANSITION, WIRES, SIGNATURE, DEFORMATION, MESOSCOPIC SYSTEMS, NANOWIRES, QUANTIZED CONDUCTANCE, RESISTANCE, SCALE METALLIC CONTACTS, SIZE CONTACTS
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