Table 3 Electronic conductance calculated by DFT on typical contacts obtained from MD structures
From: Understanding the structure of the first atomic contact in gold
Structure and value of conductanceG0 | |||
|---|---|---|---|
Metal | Dimer | Monomer | Double contact |
Au | 0.92 ± 0.07 | 0.97 ± 0.15 | 1.73 ± 0.02 |