| Cobalt (Co) | |
| Atomic Number | 27 |
| Atomic Weight | 58.9332 |
| Room Temperature Structure | hcp (A3) |
| Experimental Lattice Constant a | 4.74 Bohr |
| Calculated Lattice Constant a | 4.54 Bohr |
| Experimental Lattice Constant c | 7.69 Bohr |
| Calculated Lattice Constant c | 7.37 Bohr |
| Experimental Bulk Modulus | 191 GPa |
| Calculated Bulk Modulus | 384 GPa |
We now have parameter sets for both
These use the same hopping parameters for spin up, spin down, and the paramagnetic case.
Originally we only provided parameters for the paramagnetic case:
The tight-binding parameters were fit to first-principles spin restricted (spin up density = spin down on each atom) Augmented Plane Wave (APW) results over the following ranges:
| Structure | Minimum Lattice Constant (Bohr) | Maximum Lattice Constant (Bohr) |
| fcc (A1) | 6.25 | 6.65 |
| bcc (A2) | 4.80 | 5.40 |
| Reference | Phys. Rev. B 54, 4519-30 (1996) | |
Use of the parameters outside of these ranges may result in unphysical behavior.
Return to the tight-binding parameters periodic table