Structure independent properties of expanded crystalline mercury
- 1 January 1975
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 5 (1) , 73-80
- https://doi.org/10.1088/0305-4608/5/1/011
Abstract
The band structure of expanded crystalline mercury has been calculated in the density range 14.6-5 g cm-3 for three different crystal structures, bcc, fcc, and rhombohedral structure. A simple local pseudopotential calculation scheme has been used in a few symmetry points of the Brillouin zone. The main results of our calculations, more or less independent of the chosen structure, are: a normal metallic region 14.6 g cm-3> rho >11 g cm-3, a real band gap starting at about 8.5 g cm-3 and a semiconducting region 8 g cm-3> rho >5 g cm-3. A comparison with experimental data for expanded liquid mercury has been made.Keywords
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