On the constitution of sodium at higher densities

Details On the constitution of sodium at higher densities On the constitution of sodium at higher densities

2000-12-07

arxiv.org/abs/cond-mat/0012123v1

Physics

Condensed Matter

Materials Science

13 pages; 3 figures

Scientific paper

10.1103/PhysRevLett.86.2830

Using density functional theory the atomic and electronic structure of sodium are predicted to depart substantially from those expected of simple metals for $r_s <$ 2.48 ($p > 130$ GPa). Newly-predicted phases include those with low structural symmetry, semi-metallic electronic properties (including zero-gap semiconducting limiting behavior), unconventional valence charge density distributions, and even those that raise the possibility of superconductivity, all at currently achievable pressures. Important differences emerge between sodium and lithium at high densities, and these are attributable to corresponding differences in their respective cores.

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