| Zinc (Zn) | |
| Atomic Number | 30 |
| Atomic Weight | 65.409 |
| Room Temperature Structure | hcp (A3) |
| Experimental Volume | 102.56 Bohr^3/atom |
| Calculated Equilibrium Volume | 91.23 Bohr^3/atom |
| Experimental c/a | 1.856 |
| Calculated c/a | 1.828 |
| Experimental Bulk Modulus | 66.09 GPa |
| Calculated Bulk Modulus | 40.74 GPa |
The tight-binding parameters were fit to first-principles spin restricted (spin up density = spin down on each atom) Linear Augmented Plane Wave (LAPW) results for the following structures:
| Structure | Minimum Lattice Constant(Bohr) | Maximum Lattice Constant(Bohr) |
| hcp (A3) | 4.64 | 5.07 |
| fcc (A1) | 6.5 | 7.75 |
| bcc (A2) | 5.15 | 6.25 |
| sc (Ah) | 4.5 | 5.0 |
| Reference | Phys. Rev. B 84, 184109 (2011) | |
Use of the parameters outside of these ranges may result in unphysical behavior.
Return to the tight-binding parameters periodic table