Tight-Binding parameters for Strontium


Strontium (Sr)
Atomic Number 38
Atomic Weight 87.62
Room Temperature Structure fcc (A1)
Experimental Lattice Constant 11.49 Bohr
Calculated Lattice Constant 10.83 Bohr
Experimental Bulk Modulus 12 GPa
Calculated Bulk Modulus 15 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) 10.60  11.40 
bcc (A2)  8.20   8.80 
Reference Phys. Rev. B 54, 4519-30 (1996)

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

Get the parameters (sr_par).


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