Determination of the phase diagram of magnesium: A model-potential approach in the sub-megabar range

The phase diagram of Mg is investigated in a theoretical framework which proved rather successful for other simple metals. The calculated fusion curve agrees rather well with low and high-pressure experimental data. The existence of a hcp→bcc transition under pressure and incipient melting on the Hugoniot about 0.5 Mbar are also predicted. (orig.)