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@ARTICLE{Maity:866291,
      author       = {Maity, Sumit Ranjan and Ceretti, Monica and Keller, Lukas
                      and Schefer, Jürg and Shang, Tian and Pomjakushina,
                      Ekaterina and Meven, Martin and Sheptyakov, Denis and
                      Cervellino, Antonio and Paulus, Werner},
      title        = {{S}tructural disorder and magnetic correlations driven by
                      oxygen doping in ${N}d_{2}{N}i{O}_{4+δ}$ ( δ ∼ 0.11 )},
      journal      = {Physical review materials},
      volume       = {3},
      number       = {8},
      issn         = {2475-9953},
      address      = {College Park, MD},
      publisher    = {APS},
      reportid     = {FZJ-2019-05450},
      pages        = {083604},
      year         = {2019},
      abstract     = {We investigated the influence of oxygen overstoichiometry
                      on apical oxygen disorder and magnetic correlations in
                      Nd2NiO4+δ (δ ∼ 0.11) in the temperature range of 2–300
                      K by means of synchrotron x-ray powder diffraction, neutron
                      single-crystal and powder diffraction studies, combined with
                      macroscopic magnetic measurements. In the investigated
                      temperature range, the compound crystallizes in a tetragonal
                      commensurate structure with a P42/ncm space group with
                      excess oxygen atoms occupying the 4b (¾ ¼ ¼) interstitial
                      sites, coordinated by four apical oxygen atoms. Large and
                      anisotropic thermal displacement parameters are found for
                      equatorial and apical oxygen atoms, which are strongly
                      reduced on an absolute scale compared to the Nd2NiO4.23
                      phase. Maximum entropy analysis of the neutron
                      single-crystal diffraction data uncovered anharmonic
                      contributions to the displacement parameters of the apical
                      oxygen atoms, toward the nearest vacant 4b interstitial
                      site, related to the phonon-assisted oxygen diffusion
                      mechanism. Macroscopic magnetization measurements and
                      neutron powder diffraction studies reveal long-range
                      antiferromagnetic ordering of the Ni sublattice at TN ∼
                      53K with a weak ferromagnetic component along the c axis,
                      while the long-range magnetic ordering of the Nd sublattice
                      occurs below 10 K. Temperature-dependent neutron diffraction
                      patterns show the appearance of a commensurate magnetic
                      order at TN with the propagation vector k = (100) and the
                      emergence of an additional incommensurate phase below 30 K,
                      while both phases coexist at 2 K. The commensurate magnetic
                      structure is best described by the P42/ncm Shubnikov space
                      group. Refined magnetic moments of the Ni and Nd sites at 2
                      K are 1.144(76) and 1.632(52)μB, respectively. A possible
                      origin of the incommensurate phase is discussed and a
                      tentative magnetic phase diagram is proposed.},
      cin          = {JCNS-FRM-II / JCNS-2 / MLZ},
      ddc          = {530},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)JCNS-2-20110106 / I:(DE-588b)4597118-3},
      pnm          = {6G15 - FRM II / MLZ (POF3-6G15) / 6G4 - Jülich Centre for
                      Neutron Research (JCNS) (POF3-623)},
      pid          = {G:(DE-HGF)POF3-6G15 / G:(DE-HGF)POF3-6G4},
      experiment   = {EXP:(DE-MLZ)HEIDI-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000482589300002},
      doi          = {10.1103/PhysRevMaterials.3.083604},
      url          = {https://juser.fz-juelich.de/record/866291},
}