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


Abstract in English

Using both an effective three-band model and {it ab initio} calculations, we have investigated various topological features in the cubic ferromagnetic $5d^{1,2}$ systems showing large spin-orbit coupling (SOC): Ba$_2$NaOsO$_6$, Sr$_2$SrOsO$_6$, and Ba$_2$$B$ReO$_6$ ($B$= Mg, Zn). In the presence of time-reversal symmetry (${cal T}$), spinless Dirac nodal loops linked to each other at the $W$ points appear in the mirror planes. Remarkably, breaking ${cal T}$ leads to spinful magnetic Weyl nodal loops (MWNLs) that are robust even at large SOC and correlation strength $U$ variation due to the combination of mirror symmetry and broken ${cal T}$. Additionally, there are two types of magnetic Weyl points with chiral charges $|chi|=1, 2$ along the $C_{4v}$ symmetry line, and another type-II MWNL encircling the zone center, that are dependent on $U$. Furthermore, the ferromagnetic Ba$_2$ZnReO$_6$ 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 $sigma_{xy}$ of up to 1160 ($Omega$cm)$^{-1}$. Our findings may apply widely for $t_{2g}$ systems with cubic (or slightly distorted) fcc-like structures.

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