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Evolution of possible Weyl semimetal states across the hole-doping induced Mott transition in pyrochlore iridates

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 Added by Kentaro Ueda
 Publication date 2020
  fields Physics
and research's language is English




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We study possible Weyl semimetals of strongly-correlated electrons by investigating magnetotransport properties in pyrochlore R2Ir2O7 (R=rare-earth ions), choosing three types of R ions to design the exchange coupling scheme between R 4f and Ir 5d moments; non-magnetic Eu (4f6), isotropic Gd (4f7), and anisotropic Tb (4f8). In the doping-induced semimetallic state, distinctive features of magnetoresistance and Hall effect are observed in R=Gd and Tb compounds due to the effects of the exchange-enhanced isotropic and anisotropic Zeeman fields, respectively, exemplifying the double Weyl semimetal and the 2-in 2-out line-node semimetal as predicted by theories. In particular, a Hall angle of R=Gd compound is strongly enhanced to 1.5 % near above the critical doping for the Mott transition. Furthermore, an unconventional Hall contribution is discerned for a lower doping regime of R=Gd compound, which can be ascribed to the emergence of Weyl points with the field-distorted all-in all-out order state. These findings indicate that the hole-doping induced Mott transition as well as the characteristic f-d exchange interaction stabilizes versatile topological semimetal states in a wide range of material parameter space.

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Motivated by the proposal of a Weyl-semimetal phase in pyrochlore iridates, we consider a Hubbard-type model on the pyrochlore lattice. To shed light on the question as to why such a state has not been observed experimentally, its robustness is analyzed. On the one hand, we study the possible phases when the system is doped. Magnetic frustration favors several phases with magnetic and charge order that do not occur at half filling, including additional Weyl-semimetal states close to quarter filling. On the other hand, we search for density waves that break translational symmetry and destroy the Weyl-semimetal phase close to half filling. The uniform Weyl semimetal is found to be stable, which we attribute to the low density of states close to the Fermi energy.
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Weyl semimetals are gapless three-dimensional topological materials where two bands touch at an even number of points in the bulk Brillouin zone. These semimetals exhibit topologically protected surface Fermi arcs, which pairwise connect the projected bulk band touchings in the surface Brillouin zone. Here, we analyze the quasiparticle interference patterns of the Weyl phase when time-reversal symmetry is explicitly broken. We use a multi-band $d$-electron Hubbard Hamiltonian on a pyrochlore lattice, relevant for the pyrochlore iridate R$_2$Ir$_2$O$_7$ (where R is a rare earth). Using exact diagonalization, we compute the surface spectrum and quasiparticle interference (QPI) patterns for various surface terminations and impurities. We show that the spin and orbital texture of the surface states can be inferred from the absence of certain backscattering processes and from the symmetries of the QPI features for non-magnetic and magnetic impurities. Furthermore, we show that the QPI patterns of the Weyl phase in pyrochlore iridates may exhibit additional interesting features that go beyond those found previously in TaAs.
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