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@ARTICLE{Dutta:903706,
      author       = {Dutta, Rajesh and Thoma, Henrik and Chernyshov, Dmitry and
                      Nafradi, Balint and Masuda, Takatsugu and Kriele, Armin and
                      Hutanu, Vladimir},
      title        = {{T}opological {A}nalysis of the {E}xperimental {E}lectron
                      {D}ensity in {M}ultiferroic {A}ntiferromagnet
                      {B}a2{M}n{G}e2{O}7},
      journal      = {IEEE transactions on magnetics},
      volume       = {58},
      number       = {2},
      issn         = {0018-9464},
      address      = {New York, NY},
      publisher    = {IEEE},
      reportid     = {FZJ-2021-05348},
      pages        = {2500206},
      year         = {2022},
      abstract     = {In the field of magnetoelectric coupling, especially via
                      the spin dependent metal-ligand d-p hybridization mechanism
                      found in multiferroic Ba2MGe2O7 (M = Mn, Co), a detailed
                      knowledge of the microscopic structural parameters is
                      essential, also for the theoretical modeling. In this
                      article, we report a systematic structural study of
                      Ba2MnGe2O7 single crystal under varying temperature between
                      110 to 673 K using non-destructive in-situ single crystal
                      synchrotron radiation diffraction. The maximum entropy
                      method was applied to the X-ray diffraction data for the
                      determination of the deformation in the electron density and
                      the orbital hybridization between the 3d of Mn and 2p of O
                      in the Mn-O bond. Within this entire temperature range, the
                      structure was described in a single crystallographic space
                      group P-421m and no structural phase transition has been
                      detected. Interestingly, the forbidden reflections, which
                      arise from multiple diffraction so called “Renninger
                      effect”, were observed at all temperatures without any
                      symmetry lowering. The changes in the structural parameters
                      (bond-lengths, bond-angles, anisotropic displacement
                      parameters and electron density distributions of the atoms)
                      with temperature are revealed, helping to understand some
                      aspects comprising orbital hybridization in multiferroic
                      Ba2MnGe2O7.},
      cin          = {JCNS-FRM-II / JCNS-2 / JCNS-4 / MLZ / JARA-FIT / PGI-4},
      ddc          = {620},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)JCNS-2-20110106 / I:(DE-Juel1)JCNS-4-20201012 /
                      I:(DE-588b)4597118-3 / $I:(DE-82)080009_20140620$ /
                      I:(DE-Juel1)PGI-4-20110106},
      pnm          = {6G4 - Jülich Centre for Neutron Research (JCNS) (FZJ)
                      (POF4-6G4) / 632 - Materials – Quantum, Complex and
                      Functional Materials (POF4-632)},
      pid          = {G:(DE-HGF)POF4-6G4 / G:(DE-HGF)POF4-632},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000745538100045},
      doi          = {10.1109/TMAG.2021.3082692},
      url          = {https://juser.fz-juelich.de/record/903706},
}