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@ARTICLE{Wang:860280,
      author       = {Wang, Jiang-Jing and Wang, Jun and Du, Hongchu and Lu, Lu
                      and Schmitz, Peter C. and Reindl, Johannes and Mio, Antonio
                      M. and Jia, Chun-Lin and Ma, Evan and Mazzarello, Riccardo
                      and Wuttig, Matthias and Zhang, Wei},
      title        = {{G}enesis and {E}ffects of {S}wapping {B}ilayers in
                      {H}exagonal {G}e{S}b 2 {T}e 4},
      journal      = {Chemistry of materials},
      volume       = {30},
      number       = {14},
      issn         = {1520-5002},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2019-01055},
      pages        = {4770 - 4777},
      year         = {2018},
      abstract     = {Disorder plays an essential role in shaping the transport
                      properties of GeSbTe phase-change materials (PCMs) to enable
                      nonvolatile memory technology. Recently, increasing efforts
                      have been undertaken to investigate disorder in the stable
                      hexagonal phase of GeSbTe compounds, focusing on a special
                      type of swapping bilayer defects. This configuration has
                      been claimed to be the key element for a new mechanism for
                      phase-change memory. Here, we report a direct atomic-scale
                      chemical identification of these swapping bilayer defects in
                      hexagonal GeSb2Te4 together with nanoscale atomic modeling
                      and simulations. We identify the intermixing of Sb and Te in
                      the bilayer to be the essential ingredient for the stability
                      of the defects, and elucidate their abundance as due to the
                      small energy cost. The bilayer defects are demonstrated to
                      be ineffective in altering the electron localization nature
                      that is relevant to transport properties of hexagonal
                      GeSb2Te4. Our work paves the way for future studies of
                      layer-switching dynamics in GeSbTe at the atomic and
                      electronic level, which could be important to understand the
                      new switching mechanism relevant to interfacial phase-change
                      memory.},
      cin          = {ER-C-1 / PGI-10 / JARA-HPC / JARA-FIT},
      ddc          = {540},
      cid          = {I:(DE-Juel1)ER-C-1-20170209 / I:(DE-Juel1)PGI-10-20170113 /
                      $I:(DE-82)080012_20140620$ / $I:(DE-82)080009_20140620$},
      pnm          = {143 - Controlling Configuration-Based Phenomena (POF3-143)},
      pid          = {G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000440105500035},
      doi          = {10.1021/acs.chemmater.8b01900},
      url          = {https://juser.fz-juelich.de/record/860280},
}