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@ARTICLE{Shams:902835,
      author       = {Shams, S. Fatemeh and Schmitz, Detlef and Smekhova,
                      Alevtina and Ghazanfari, Mohammad Reza and Giesen, Margret
                      and Weschke, Eugen and Chen, Kai and Luo, Chen and Radu,
                      Florin and Schmitz-Antoniak, Carolin},
      title        = {{E}lement-specific contributions to improved magnetic
                      heating of theranostic {C}o{F}e2{O}4 nanoparticles decorated
                      with {P}d},
      journal      = {Scientific reports},
      volume       = {11},
      number       = {1},
      issn         = {2045-2322},
      address      = {[London]},
      publisher    = {Macmillan Publishers Limited, part of Springer Nature},
      reportid     = {FZJ-2021-04592},
      pages        = {15843},
      year         = {2021},
      abstract     = {Decoration with Pd clusters increases the magnetic heating
                      ability of cobalt ferrite (CFO) nanoparticles by a factor of
                      two. The origin of this previous finding is unraveled by
                      element-specific X-ray absorption spectroscopy (XAS) and
                      magnetic circular dichroism (XMCD) combined with atomic
                      multiplet simulations and density functional theory (DFT)
                      calculations. While the comparison of XAS spectra with
                      atomic multiplet simulations show that the inversion degree
                      is not affected by Pd decoration and, thus, can be excluded
                      as a reason for the improved heating performance, XMCD
                      reveals two interrelated responsible sources: significantly
                      larger Fe and Co magnetic moments verify an increased total
                      magnetization which enhances the magnetic heating ability.
                      This is accompanied by a remarkable change in the
                      field-dependent magnetization particularly for Co ions which
                      exhibit an increased low-field susceptibility and a reduced
                      spin canting behavior in higher magnetic fields. Using DFT
                      calculations, these findings are explained by reduced
                      superexchange between ions on octahedral lattice sites via
                      oxygen in close vicinity of Pd, which reinforces the
                      dominating antiparallel superexchange interaction between
                      ions on octahedral and tetrahedral lattice sites and thus
                      reduces spin canting. The influence of the delocalized
                      nature of Pd 4d electrons on the neighboring ions is
                      discussed and the conclusions are illustrated with spin
                      density isosurfaces of the involved ions. The presented
                      results pave the way to design nanohybrids with tailored
                      electronic structure and magnetic properties.},
      cin          = {PGI-6},
      ddc          = {600},
      cid          = {I:(DE-Juel1)PGI-6-20110106},
      pnm          = {1212 - Materials and Interfaces (POF4-121)},
      pid          = {G:(DE-HGF)POF4-1212},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {34349172},
      UT           = {WOS:000684832300005},
      doi          = {10.1038/s41598-021-95189-y},
      url          = {https://juser.fz-juelich.de/record/902835},
}