Ruthenium (Ru) | |
Atomic Number | 44 |
Atomic Weight | 101.07 |
Room Temperature Structure | hcp (A3) |
Experimental Lattice Constant a | 5.12 Bohr |
Calculated Lattice Constant a | 5.07 Bohr |
Experimental Lattice Constant c | 8.09 Bohr |
Calculated Lattice Constant c | 8.05 Bohr |
Experimental Bulk Modulus | 321 GPa |
Calculated Bulk Modulus | 360 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) | 6.80 | 7.40 |
bcc (A2) | 5.50 | 5.90 |
Reference | Phys. Rev. B 54, 4519-30 (1996) |
Use of the parameters outside of these ranges may result in unphysical behavior.