Tight-Binding parameters for Ruthenium


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.

Get the parameters (ru_par).


Return to the tight-binding parameters periodic table