Tight-Binding parameters for Tungsten


Tungsten (W)
Atomic Number 74
Atomic Weight 183.85
Room Temperature Structure bcc (A2)
Experimental Lattice Constant 5.97 Bohr
Calculated Lattice Constant 5.94 Bohr
Experimental Bulk Modulus 323 GPa
Calculated Bulk Modulus 319 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)  7.25   7.75 
bcc (A2)  5.60   6.20 
Reference Phys. Rev. B 54, 4519-30 (1996)

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

Get the parameters (w_par).


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