Tight-Binding parameters for Vanadium


Vanadium (V)
Atomic Number 23
Atomic Weight 50.942
Room Temperature Structure bcc (A2)
Experimental Lattice Constant 5.73 Bohr
Calculated Lattice Constant 5.56 Bohr
Experimental Bulk Modulus 162 GPa
Calculated Bulk Modulus 211 GPa

The tight-binding parameters were fit to first-principles Linearized Augmented Plane Wave (LAPW) results over the following ranges:

Structure Minimum Range Lattice Constant (Bohr) Maximum Range Lattice Constant (Bohr)
fcc (A1)  6.70   7.25 
bcc (A2)  5.25   5.80 
Reference Phys. Rev. B 54, 4519-30 (1996)

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

Get the parameters (v_par).


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