Microscopic origins of the anomalous melting behaviour of high-pressure sodium

Details Microscopic origins of the anomalous melting behaviour of high-pressure sodium Microscopic origins of the anomalous melting behaviour of high-pressure sodium

2011-10-10

arxiv.org/abs/1110.2031v1

Physics

Condensed Matter

Materials Science

5 pages, 4 figures, 30 references, supplementary information

Scientific paper

Recent experiments have shown that sodium, a prototype simple metal at ambient conditions, exhibits unexpected complexity under high pressure. One of the most puzzling phenomena in the behaviour of dense sodium is the pressure-induced drop in its melting temperature, which extends from 1000 K at ~30GPa to as low as room temperature at ~120GPa. Despite significant theoretical effort to understand the anomalous melting its origins have remained unclear. In this work, we reconstruct the sodium phase diagram using an ab-initio-quality neural-network potential. We demonstrate that the reentrant behaviour results from the screening of interionic interactions by conduction electrons, which at high pressure induces a softening in the short-range repulsion. It is expected that such an effect plays an important role in governing the behaviour of a wide range of metals and alloys.

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