Tight-Binding parameters for Gallium


Gallium (Ga)
Atomic Number 31
Atomic Weight 69.72
Room Temperature Structure alpha-Ga (A11)
Experimental Lattice Constant a 0.2766 nm
Experimental Lattice Constant b 0.8053 nm
Experimental Lattice Constant c 0.3332 nm

The s and p tight-binding parameters were fit to first-principles Linearized Augmented Plane Wave (LAPW) results. The d orbitals were excluded from the fit. The following ranges were used:

Structure Minimum Range Lattice Constant (Bohr) Maximum Range Lattice Constant (Bohr)
fcc (A1)  7.40   8.20 
bcc (A2)  5.80   6.80 
simple cubic (Ah)  4.70   5.50 
Reference Phys. Rev. B 57, R2013-6 (1998)

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

Get the parameters (ga_par).


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