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@ARTICLE{Ge:908349,
      author       = {Ge, Zhen-Hua and Li, Wen-Jie and Feng, Jing and Zheng,
                      Fengshan and Jia, Chun-Lin and Wu, Di and Jin, Lei},
      title        = {{A}tomic‐{S}cale {O}bservation of {O}ff‐{C}entering
                      {R}attlers in {F}illed {S}kutterudites},
      journal      = {Advanced energy materials},
      volume       = {12},
      number       = {15},
      issn         = {1614-6832},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2022-02551},
      pages        = {2103770 -},
      year         = {2022},
      abstract     = {As one of the most fundamental order parameters, the
                      coordinate order of atoms is a cornerstone in determining
                      the physical and chemical properties of materials.
                      Off-centering shifts of atoms from their centrosymmetric
                      positions, a phenomenon that is closely related to symmetry
                      breaking and structural transitions in crystals, is of key
                      importance in modifying a broad range of fundamental
                      properties, such as ferroelectricity, antiferroelectricity,
                      and piezoelectricity. In thermoelectric materials, which can
                      be used to directly interconvert heat to electricity,
                      off-centering has been proposed in, e.g., lead tellurides,
                      halide perovskites, type I and II clathrates, and filled
                      skutterudites, to be the physical origin of the
                      experimentally measured exceptionally low thermal
                      conductivity, but only indirectly supported from structural
                      refinements and experimental/theoretical vibration mode
                      analyses. In this work, Yb partially filled and Ce fully
                      filled skutterudite is taken as a model system for directly
                      measuring the off-centering shifts of filler atoms, i.e.,
                      rattlers, with picometer precision in real space, by means
                      of atomic-resolution negative spherical aberration imaging
                      transmission electron microscopy. This finding allows an
                      in-depth understanding of the relationship between the
                      off-centering and the thermoelectric performance, and the
                      presented methodology here is also applicable to investigate
                      the off-centering phenomena in other functional materials,
                      e.g., ferroelectrics and solar cells.},
      cin          = {ER-C-1},
      ddc          = {050},
      cid          = {I:(DE-Juel1)ER-C-1-20170209},
      pnm          = {5351 - Platform for Correlative, In Situ and Operando
                      Characterization (POF4-535)},
      pid          = {G:(DE-HGF)POF4-5351},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000761523000001},
      doi          = {10.1002/aenm.202103770},
      url          = {https://juser.fz-juelich.de/record/908349},
}