Tight-Binding parameters for Osmium


Osmium (Os)
Atomic Number 76
Atomic Weight 190.2
Room Temperature Structure hcp (A3)
Experimental Lattice Constant a 5.18 Bohr
Calculated Lattice Constant a 5.20 Bohr
Experimental Lattice Constant c 8.17 Bohr
Calculated Lattice Constant c 8.15 Bohr
Experimental Bulk Modulus 418 GPa
Calculated Bulk Modulus 441 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)  7.05   7.45 
bcc (A2)  5.60   6.00 
Reference Phys. Rev. B 54, 4519-30 (1996)

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

Get the parameters (os_par).


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