Tight-Binding parameters for Nickel

Nickel (Ni)
Atomic Number	28
Atomic Weight	58.71
Room Temperature Structure	fcc (A1)
Experimental Lattice Constant	6.65 Bohr
Calculated Lattice Constant	6.48 Bohr
Experimental Bulk Modulus	186 GPa
Calculated Bulk Modulus	268 GPa

We now have parameter sets for both

Paramagnetic Nickel (ni_para_par) and
Ferromagnetic Nickel (ni_ferro_par).

These use the same hopping parameters for spin up, spin down, and the paramagnetic case.

Originally, we only provided parameters for the paramagnetic case:

The tight-binding parameters were fit to first-principles spin restricted (spin up density = spin down on each atom) Augmented Plane Wave (APW) results over the following ranges:

Structure	Minimum Lattice Constant (Bohr)	Maximum Lattice Constant (Bohr)
fcc (A1)	6.35	6.65
bcc (A2)	5.10	5.40
Reference	Phys. Rev. B 54, 4519-30 (1996)

Use of the parameters outside of these ranges may result in unphysical behavior.

Get the parameters (ni_par).

Return to the tight-binding parameters periodic table