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

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Mercury
Monolayers
Phase transitions
Lattice constants
Substrates
energy
lattice parameters
plane waves
Physical properties
physical properties
predictions
interactions

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Phase transitions in a mercury monolayer. / Jansen, H. J F; Freeman, Arthur J; Weinert, M.; Wimmer, E.

In: Physical Review B, Vol. 28, No. 2, 1983, p. 593-597.

Research output: Contribution to journalArticle

Jansen, HJF, Freeman, AJ, Weinert, M & Wimmer, E 1983, 'Phase transitions in a mercury monolayer', Physical Review B, vol. 28, no. 2, pp. 593-597. https://doi.org/10.1103/PhysRevB.28.593
Jansen, H. J F ; Freeman, Arthur J ; Weinert, M. ; Wimmer, E. / Phase transitions in a mercury monolayer. In: Physical Review B. 1983 ; Vol. 28, No. 2. pp. 593-597.
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