Tight-Binding parameters for Nickel

Nickel (Ni) Atomic Number 28 Atomic Weight 58.71 Room Temperature Structure fcc (A1) Room Temperature Lattice Constant 0.352 nm

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:

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