Cadmium (Cd) | |
Atomic Number | 48 |
Atomic Weight | 112.411 |
Room Temperature Structure | hcp (A3) |
Experimental Volume | 145.63 Bohr^3/atom |
Calculated Equilibrium Volume | 136.23 Bohr^3/atom |
Experimental c/a | 1.885 |
Calculated c/a | 1.883 |
Experimental Bulk Modulus | 52.51 GPa |
Calculated Bulk Modulus | 52.81 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) | 5.0 | 5.5 |
fcc (A1) | 7.5 | 8.5 |
bcc (A2) | 6.0 | 6.8 |
sc (Ah) | 4.9 | 5.4 |
Reference | Phys. Rev. B 84, 184109 (2011) |
Use of the parameters outside of these ranges may result in unphysical behavior.