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@ARTICLE{Zhou:867610,
      author       = {Zhou, Xiaodong and Hanke, Jan-Philipp and Feng, Wanxiang
                      and Li, Fei and Guo, Guang-Yu and Yao, Yugui and Blügel,
                      Stefan and Mokrousov, Yuriy},
      title        = {{S}pin-order dependent anomalous {H}all effect and
                      magneto-optical effect in the noncollinear antiferromagnets
                      {M}n 3 {X} {N} with {X} = {G}a , {Z}n, {A}g, or {N}i},
      journal      = {Physical review / B},
      volume       = {99},
      number       = {10},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2019-06231},
      pages        = {104428},
      year         = {2019},
      abstract     = {The anomalous Hall effect (AHE) and the magneto-optical
                      effect (MOE) are two prominent manifestations of
                      time-reversal symmetry breaking in magnetic materials.
                      Noncollinear antiferromagnets (AFMs) have recently attracted
                      a lot of attention owing to the potential emergence of
                      exotic spin orders on geometrically frustrated lattices,
                      which can be characterized by corresponding spin
                      chiralities. By performing first-principles density
                      functional calculations together with group-theory analysis
                      and tight-binding modeling, here we systematically study the
                      spin-order dependent AHE and MOE in representative
                      noncollinear AFMs Mn3XN(X=Ga, Zn, Ag, and Ni). The
                      symmetry-related tensor shape of the intrinsic anomalous
                      Hall conductivity (IAHC) for different spin orders is
                      determined by analyzing the relevant magnetic point groups.
                      We show that while only the xy component of the IAHC tensor
                      is nonzero for right-handed spin chirality, all other
                      elements—σxy,σyz, and σzx—are nonvanishing for a
                      state with left-handed spin chirality owing to lowering of
                      the symmetry. Our tight-binding arguments reveal that the
                      magnitude of IAHC relies on the details of the band
                      structure and that σxy is periodically modulated as the
                      spin rotates in-plane. The IAHC obtained from first
                      principles is found to be rather large, e.g., it amounts to
                      359 S/cm in Mn3AgN, which is comparable to other well-known
                      noncollinear AFMs such as Mn3Ir and Mn3Ge. We evaluate also
                      the magnetic anisotropy energy and find that the evolution
                      of spin order is related to the number of valence electrons
                      in the X ion. Interestingly, the left-handed spin chirality
                      could exist in Mn3XN with some particular spin
                      configurations. By extending our analysis to finite
                      frequencies, we calculate the optical isotropy
                      [σxx(ω)≈σyy(ω)≈σzz(ω)] and the magneto-optical
                      anisotropy [σxy(ω)≠σyz(ω)≠σzx(ω)] of Mn3XN.
                      Similar to the IAHC, the magneto-optical Kerr and Faraday
                      spectra depend strongly on the spin order. The Kerr rotation
                      angles in Mn3XN are in the range of 0.3∘∼0.4∘, which
                      is large and comparable to other noncollinear AFMs like
                      Mn3Pt and Mn3Sn. Our finding of large AHE and MOE in Mn3XN
                      suggests that these materials present an excellent
                      antiferromagnetic platform for realizing novel spintronics
                      and magneto-optical devices. We argue that the spin-order
                      dependent AHE and MOE are indispensable in detecting complex
                      spin structures in noncollinear AFMs.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143) /
                      Topological transport in real materials from ab initio
                      $(jiff40_20090701)$},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143 /
                      $G:(DE-Juel1)jiff40_20090701$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000462890400003},
      doi          = {10.1103/PhysRevB.99.104428},
      url          = {https://juser.fz-juelich.de/record/867610},
}