Table 2.
The average binding energy per atom (Eb), dissociation energy (DE), and second-order difference energy (Δ2E) for Nb5Cn and Nb6Cn (n = 1–7) clusters, all energies are in eV.
| Isomers | Eb | DE | Δ2E | Isomers | Eb | DE | Δ2E |
|---|---|---|---|---|---|---|---|
| 5-1a | 4.408 | 7.956 | −0.384 | 6-1a | 4.639 | 8.952 | 1.652 |
| 5-2a | 4.970 | 8.340 | 1.151 | 6-2a | 4.971 | 7.300 | −0.160 |
| 5-3a | 5.247 | 7.190 | −0.333 | 6-3a | 5.248 | 7.459 | 0.243 |
| 5-4b | 5.500 | 7.523 | −0.094 | 6-4a | 5.444 | 7.216 | 0.111 |
| 5-5a | 5.712 | 7.617 | −0.628 | 6-5a | 5.595 | 7.105 | −0.279 |
| 5-6a | 5.942 | 8.245 | 2.103 | 6-6a | 5.745 | 7.384 | −1.232 |
| 5-7a | 5.959 | 6.142 | 6-7a | 5.965 | 8.617 |