Determination of the Phase Diagram of Magnesium: a Model-Potential Approach in the Sub-Megabar Range

Abstract

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 h c p → b c c transition under pressure and incipient melting on the Hugoniot about 0.5 Mbar are also predicted.