Tantalum (Ta) | |
Atomic Number | 73 |
Atomic Weight | 180.948 |
Room Temperature Structure | bcc (A2) |
Experimental Lattice Constant | 6.24 Bohr |
Calculated Lattice Constant | 6.24 Bohr |
Experimental Bulk Modulus | 200 GPa |
Calculated Bulk Modulus | 185 GPa |
The tight-binding parameters were fit to first-principles Augmented Plane Wave (APW) results over the following ranges:
Structure | Minimum Range Lattice Constant (Bohr) | Maximum Range Lattice Constant (Bohr) |
fcc (A1) | 7.65 | 8.05 |
bcc (A2) | 5.70 | 6.40 |
Reference | Phys. Rev. B 54, 4519-30 (1996) |
Use of the parameters outside of these ranges may result in unphysical behavior.