TY - JOUR

T1 - Conduction channels at finite bias in single-atom gold contacts

A1 - Brandbyge,Mads

A1 - Kobayashi,Nobuhiko

A1 - Tsukada,Masaru

AU - Brandbyge,Mads

AU - Kobayashi,Nobuhiko

AU - Tsukada,Masaru

PB - American Physical Society

PY - 1999

Y1 - 1999

N2 - 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.

AB - 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.

KW - TRANSITION

KW - WIRES

KW - SIGNATURE

KW - DEFORMATION

KW - MESOSCOPIC SYSTEMS

KW - NANOWIRES

KW - QUANTIZED CONDUCTANCE

KW - RESISTANCE

KW - SCALE METALLIC CONTACTS

KW - SIZE CONTACTS

UR - http://link.aps.org/doi/10.1103/PhysRevB.60.17064

U2 - 10.1103/PhysRevB.60.17064

DO - 10.1103/PhysRevB.60.17064

JO - Physical Review B (Condensed Matter and Materials Physics)

JF - Physical Review B (Condensed Matter and Materials Physics)

SN - 1098-0121

IS - 24

VL - 60

SP - 17064

EP - 17070

ER -