Phase transitions in a mercury monolayer

H. J F Jansen, Arthur J Freeman, M. Weinert, E. Wimmer

Research output: Contribution to journalArticle

40 Citations (Scopus)

Abstract

The physical properties of low-dimensional systems are sometimes vastly different from the properties of their bulk counterparts. Recently, Miedema and Dorleijn made the very interesting prediction, based on semiempirical theory, that there might exist a wide range of substrates on which a monolayer of Hg will be nonmetallic. In a fully ab initio study, we have calculated the total energy of free monolayers of Hg as a function of the lattice constant using local-density theory and the full-potential linearized augmented-plane-wave method. There are at least three different phases which are found to play an important role. Near the energy minimum, the variation of the total energy is small over a wide range of values of the lattice parameter, which includes regions of metallic and insulating behavior. Hence our results predict that the interaction with the substrate will determine whether a Hg monolayer is metallic or not.

Original languageEnglish
Pages (from-to)593-597
Number of pages5
JournalPhysical Review B
Volume28
Issue number2
DOIs
Publication statusPublished - 1983

ASJC Scopus subject areas

  • Condensed Matter Physics

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