Tight-Binding parameters for Tantalum


Tantalum (Ta)
Atomic Number 73
Atomic Weight 180.948
Room Temperature Structure bcc (A2)
Room Temperature Lattice Constant 0.330 nm

The tight-binding parameters were fit to first-principles Augmented Plane Wave (APW) results over the following ranges:

Structure Minimum Lattice Constant (Bohr) Maximum Lattice Constant (Bohr)
fcc (A1)  7.65   8.05 
bcc (A2)  5.70   6.40 
Reference Phys. Rev. B 54, 4519-30 (1996)

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

Get the parameters (ta_par).


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