| Calcium (Ca) | |
| Atomic Number | 20 |
| Atomic Weight | 40.08 |
| Room Temperature Structure | fcc (A1) |
| Room Temperature Lattice Constant | 0.658 nm |
The tight-binding parameters were fit to first-principles
Augmented Plane Wave (APW) results over the ranges listed below.
Use of the parameters outside of these ranges may result in
unphysical behavior.
| Structure | Minimum Lattice Constant (Bohr) | Maximum Lattice Constant (Bohr) |
| fcc (A1) | 8.00 | 11.50 |
| bcc (A2) | 7.20 | 8.40 |
| Get the parameters (ca_par_315) | ||
| Reference | G. M. Wang, D. A. Papaconstantopoulos, and E. Balaisten-Barojas, Journal of Physics and Chemistry of Solids, 64, 185 (2003) | |
| An earlier set of parameters for Calcium appeared in | ||
| fcc (A1) | 9.90 | 10.30 |
| bcc (A2) | 7.54 | 8.14 |
| Reference | Phys. Rev. B 54, 4519-30 (1996) | |
| Get the older parameters (ca_par) | ||