Lattice dynamics of magnesium using pseudopotential andab initioHartree-Fock approaches
- 1 September 1996
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 54 (9) , 6054-6057
- https://doi.org/10.1103/physrevb.54.6054
Abstract
We have used first-principles pseudopotentials to calculate the phonon-dispersion curves and the elastic constants of magnesium. The predicted phonon spectra obtained from different interatomic potentials are in good agreement with the experimental measurements. The elastic constants computed from these atomic force constants are compared with Hartree-Fock values.Keywords
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