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Publications in Scientific Journals:

D. Di Sante, A. Hausoel, P. Barone, J. Tomczak, G. Sangiovanni, R. Thomale:
"Realizing double Dirac particles in the presence of electronic interactions";
Physical Review B, 96 (2017), 12; 121106.



English abstract:
Double Dirac fermions have recently been identified as possible quasiparticles hosted by three-dimensional
crystals with particular nonsymmorphic point-group symmetries. Applying a combined approach of ab initio
methods and dynamical mean-field theory, we investigate how interactions and double Dirac band topology
conspire to form the electronic quantum state of Bi2CuO4. We derive a downfolded eight-band model of the
pristine material at low energies around the Fermi level. By tuning the model parameters from the free band
structure to the realistic strongly correlated regime, we find a persistence of the double Dirac dispersion until its
constituting time-reversal symmetry is broken due to the onset of magnetic ordering at the Mott transition. Our
calculations suggest that the double Dirac fermions in Bi2CuO4 can be restored by experimentally accessible
hydrostatic pressures. In light of the growing attention to the topological quantum chemistry approach, our
results on Bi2CuO4 show how many-body effects must be included beyond the static mean-field level for reliable
predictions on new materials.

Keywords:
Topology, Dirac fermions, Bi2CuO4, Mott insulator


"Official" electronic version of the publication (accessed through its Digital Object Identifier - DOI)
http://dx.doi.org/10.1103/PhysRevB.96.121106


Created from the Publication Database of the Vienna University of Technology.