Tight-Binding parameters for Magnesium
| Magnesium (Mg) |
| Atomic Number | 12 |
| Atomic Weight | 24.312 |
| Room Temperature Structure |
hcp (A3) |
| Experimental Lattice
Constant | a = 3.25 Å
c = 5.21
Å |
| |
|
The paper Tight-binding
calculations of the band structure and total energies of the various
phases of magnesium, [H. J. Gotsis, D. A. Papaconstantopoulos,
and M. J. Mehl, Phys.
Rev. B 65, 134101 (2002)] presents
magnesium parameters which were fit to Linearized Augmented Plane
Wave calculations using the Perdew-Wang 1991 GGA
parametrization. The following phases were included in the
database:
Use of the parameters outside of these ranges may result in
unphysical behavior.
Get the parameters (mg_par).
Return to the tight-binding parameters periodic
table