Abstract

Using pair potentials derived from structure data for liquid metals, the stability of solid Na, Pb, Hg and Al has been investigated. For Na, the body-centred cubic structure has a lower energy than the face-centred cubic, and for Pb the reverse situation obtains, in agreement with experiment. For Hg, the face-centred cubic phase is very slightly lower in energy than the actual rhombohedral structure, but the body-centred cubic form is definitely excluded. Al presents a difficulty, however, as the body-centred cubic structure is stable with our potential.

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