Electron transport properties of sub-3-nm diameter copper nanowires
- Resource Type
- Authors
- James C. Greer; James S. Clarke; Ananth P. Kaushik; Roger E. Nagle; Alfonso Sanchez-Soares; John J. Plombon; Sarah L. T. Jones
- Source
- Subject
- Materials science
Condensed Matter - Mesoscale and Nanoscale Physics
Resistivity
Nanowire
FOS: Physical sciences
Condensed Matter Physics
Electron transport chain
Molecular physics
Electronic, Optical and Magnetic Materials
Metal
Surface
Tight binding
Transmission (telecommunications)
Electrical resistivity and conductivity
Currents
visual_art
Ballistic conduction
Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
visual_art.visual_art_medium
Density functional theory
Films
Model
- Language
- English
Density functional theory and density functional tight-binding are applied to model electron transport in copper nanowires of approximately 1 nm and 3 nm diameters with varying crystal orientation and surface termination. The copper nanowires studied are found to be metallic irrespective of diameter, crystal orientation and/or surface termination. Electron transmission is highly dependent on crystal orientation and surface termination. Nanowires oriented along the [110] crystallographic axis consistently exhibit the highest electron transmission while surface oxidized nanowires show significantly reduced electron transmission compared to unterminated nanowires. Transmission per unit area is calculated in each case, for a given crystal orientation we find that this value decreases with diameter for unterminated nanowires but is largely unaffected by diameter in surface oxidized nanowires for the size regime considered. Transmission pathway plots show that transmission is larger at the surface of unterminated nanowires than inside the nanowire and that transmission at the nanowire surface is significantly reduced by surface oxidation. Finally, we present a simple model which explains the transport per unit area dependence on diameter based on transmission pathways results.