Tight-Binding parameters for Platinum


Platinum (Pt)
Atomic Number 78
Atomic Weight 195.09
Room Temperature Structure fcc (A1)
Experimental Lattice Constant 7.41 Bohr
Calculated Lattice Constant 7.37 Bohr
Experimental Bulk Modulus 278 GPa
Calculated Bulk Modulus 318 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)  7.20   7.70 
bcc (A2)  5.70   6.10 
Reference Phys. Rev. B 54, 4519-30 (1996)

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

Get the parameters (pt_par).


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