Symmetry-protected Spinful Magnetic Weyl Nodal Loops and Multi-Weyl Nodes in 5dn5d^n Cubic Double Perovskites (n=1,2)(n=1,2)

preprint2020arXivOpen access

Abstract

Using both an effective three-band model and {\it ab initio} calculations, we have investigated various topological features in the cubic ferromagnetic 5d1,25d^{1,2} systems showing large spin-orbit coupling (SOC): Ba2_2NaOsO6_6, Sr2_2SrOsO6_6, and Ba2_2BBReO6_6 (BB= Mg, Zn). In the presence of time-reversal symmetry (T{\cal T}), spinless Dirac nodal loops linked to each other at the WW points appear in the mirror planes. Remarkably, breaking T{\cal T} leads to spinful magnetic Weyl nodal loops (MWNLs) that are robust even at large SOC and correlation strength UU variation due to the combination of mirror symmetry and broken T{\cal T}. Additionally, there are two types of magnetic Weyl points with chiral charges ∣χ∣=1,2|χ|=1, 2 along the C4vC_{4v} symmetry line, and another type-II MWNL encircling the zone center, that are dependent on UU. Furthermore, the ferromagnetic Ba2_2ZnReO6_6 is an ideal half semimetal with MWNLs and magnetic Weyl nodes at the Fermi level without the interference of topologically trivial bulk states. These systems give rise to a remarkably large anomalous Hall conductivity σxyσ_{xy} of up to 1160 (ΩΩcm)−1^{-1}. Our findings may apply widely for t2gt_{2g} systems with cubic (or slightly distorted) fcc-like structures.

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