Hydrogen - The first alkali metal?

B. R. Eggen*, J. N. Murrell, L. J. Dunne

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

High quality multireference configuration interaction (MRCI) calculations have been employed in a comparative study of compressed structures of hydrogen and of lithium. Hexagonal and cubic clusters were allowed to distort and in both cases a minimum bond length was found at which dimerization did not occur. These calculations suggest that bulk hydrogen under sufficiently high pressures would not have a dimer structure and would therefore show metallic character, which has been observed for the liquid phase. We estimate that compressed hydrogen becomes metallic at pressures exceeding 300 GPa due to a Mott transition of the electrons on the undimerised lattice.

Original languageEnglish
Pages (from-to)119-123
Number of pages5
JournalSolid State Communications
Volume105
Issue number2
DOIs
Publication statusPublished - Jan 1998
Externally publishedYes

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