Tight-Binding parameters for Rhenium


Rhenium (Re)
Atomic Number 75
Atomic Weight 186.2
Room Temperature Structure hcp (A3)
Room Temperature Lattice Constant a 0.276 nm
Room Temperature Lattice Constant c 0.446 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)  7.15   7.55 
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 (re_par).


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