TY - JOUR
T1 - Theoretical prediction of a strongly correlated Dirac metal
AU - Mazin, I. I.
AU - Jeschke, Harald O.
AU - Lechermann, Frank
AU - Lee, Hunpyo
AU - Fink, Mario
AU - Thomale, Ronny
AU - Valentí, Roser
N1 - Funding Information:
We acknowledge useful discussions with C. Krellner, C. Platt, G. Khalliulin, A. Chubukov and C. Piefke, C.S. Hellberg, M. Taillefumier and R. Moessner. I.I.M. is supported by ONR through the NRL basic research program and in part by the A. von Humboldt Foundation. H.O.J., F.L. and R.V. are supported by DFG-FOR1346 and DFG-SFB/TR49 (H.O.J., R.V.). R.T. is supported by the European Research Council through the grant TOPOLECTRICS, ERC-StG-336012.
PY - 2014/7/1
Y1 - 2014/7/1
N2 - 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.
AB - 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.
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U2 - 10.1038/ncomms5261
DO - 10.1038/ncomms5261
M3 - Article
AN - SCOPUS:84903787743
SN - 2041-1723
VL - 5
JO - Nature Communications
JF - Nature Communications
M1 - 4261
ER -