Tight-Binding parameters for Technetium


Technetium (Tc)
Atomic Number 43
Atomic Weight 98.91
Room Temperature Structure hcp (A3)
Experimental Lattice Constant a 5.18 Bohr
Calculated Lattice Constant a 5.14 Bohr
Experimental Lattice Constant c 8.32 Bohr
Calculated Lattice Constant c 8.20 Bohr
Experimental Bulk Modulus 297 GPa
Calculated Bulk Modulus 304 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)  7.10   7.50 
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 (tc_par).


Return to the tight-binding parameters periodic table