Electronic properties of expanded cesium.

Kelly P.J., Glotzel D.

The authors present the results of an extensive series of self-consistent calculations for cesium between the equilibrium atomic volume and the critical density. Paramagnetic, ferromagnetic, and antiferromagnetic ordering on BCC, SC, and diamond lattices are considered. They find that, for all three lattices, antiferromagnetic ordering occurs before ferromagnetic ordering. In all cases, a metal-insulator transition occurs at a density rho MI lower than the density at which magnetic ordering occurs. There is a considerable spread in the values of rho MI for the different structures clustered about the experimental critical density rho c=0.41 g/cm3. Calculated electron densities at the nucleus do not, however, reproduce the experimentally observed trend even when a restricted dimerization of the structure is taken into account.

Physical Review B, 33 5284-93, 1986.

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