Theoretical prediction of a strongly correlated Dirac metal

I. I. Mazin, Harald Olaf Jeschke, Frank Lechermann, Hunpyo Lee, Mario Fink, Ronny Thomale, Roser Valentí

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Abstract

Recently, the most intensely studied objects in the electronic theory of solids have been strongly correlated systems and graphene. However, the fact that the Dirac bands in graphene are made up of sp2 electrons, which are subject to neither strong Hubbard repulsion U nor strong Hund's rule coupling J, creates certain limitations in terms of novel, interaction-induced physics that could be derived from Dirac points. Here we propose GaCu 3 (OH)6 Cl2 (Ga-substituted herbertsmithite) as a correlated Dirac-Kagome metal combining Dirac electrons, strong interactions and frustrated magnetic interactions. Using density functional theory, we calculate its crystallographic and electronic properties, and observe that it has symmetry-protected Dirac points at the Fermi level. Its many-body physics is diverse, with possible charge, magnetic and superconducting instabilities. Through a combination of various many-body methods we study possible symmetry-lowering phase transitions such as Mott-Hubbard, charge or magnetic ordering, and unconventional superconductivity, which in this compound assumes an f-wave symmetry.

Original languageEnglish
Article number4261
JournalNature communications
Volume5
DOIs
Publication statusPublished - Jul 1 2014
Externally publishedYes

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ASJC Scopus subject areas

  • Chemistry(all)
  • Biochemistry, Genetics and Molecular Biology(all)
  • Physics and Astronomy(all)

Cite this

Mazin, I. I., Jeschke, H. O., Lechermann, F., Lee, H., Fink, M., Thomale, R., & Valentí, R. (2014). Theoretical prediction of a strongly correlated Dirac metal. Nature communications, 5, [4261]. https://doi.org/10.1038/ncomms5261