Tight-Binding parameters for Cadmium


Cadmium (Cd)
Atomic Number 48
Atomic Weight 112.411
Room Temperature Structure hcp (A3)
Experimental Volume 145.63 Bohr^3/atom
Calculated Equilibrium Volume 136.23 Bohr^3/atom
Experimental c/a 1.885
Calculated c/a 1.883
Experimental Bulk Modulus 52.51 GPa
Calculated Bulk Modulus 52.81 GPa

The tight-binding parameters were fit to first-principles spin restricted (spin up density = spin down on each atom) Linear Augmented Plane Wave (LAPW) results for the following structures:

Structure Minimum Lattice Constant (Bohr) Maximum Lattice Constant (Bohr)
hcp (A3)  5.0     5.5  
fcc (A1)  7.5    8.5  
bcc (A2)  6.0    6.8 
sc (Ah)  4.9    5.4  
Reference Phys. Rev. B 84, 184109 (2011)

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

Get the parameters (cd_par).

Return to the tight-binding parameters periodic table

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