Tight-Binding parameters for Indium


Indium (In)
Atomic Number 49
Atomic Weight 114.82
Room Temperature Structure fct (A6)
Experimental Lattice Constant a 0.325 nm
Experimental Lattice Constant c 0.495 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)  8.40   9.20 
bcc (A2)  6.60   7.40 
simple cubic (Ah)  5.20   6.00 
Reference Phys. Rev. B 57, R2013-6 (1998)

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

Get the parameters (in_par).


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