Yttrium (Y) | |
Atomic Number | 39 |
Atomic Weight | 88.908 |
Room Temperature Structure | hcp (A3) |
Experimental Lattice Constant a | 6.90 Bohr |
Calculated Lattice Constant a | 6.79 Bohr |
Experimental Lattice Constant c | 10.83 Bohr |
Calculated Lattice Constant c | 10.11 Bohr |
Experimental Bulk Modulus | 37 GPa |
Calculated Bulk Modulus | 46 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) | 9.00 | 9.50 |
bcc (A2) | 7.10 | 7.60 |
Reference | Phys. Rev. B 54, 4519-30 (1996) |
Use of the parameters outside of these ranges may result in unphysical behavior.