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Keywords:

  • density functional calculations;
  • electronic structure;
  • element 112;
  • relativistic effects;
  • semiconductors
Thumbnail image of graphical abstract

Super heavy: According to relativistic Dirac–Kohn–Sham calculations, eka-mercury (element 112) is a semiconductor in the solid state (see band structure; red: filled bands, blue: empty bands). In the absence of relativistic effects, condensed eka-mercury would be a hexagonal close-packed metal similar to zinc and cadmium.