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@ARTICLE{Chatterji:276107,
      author       = {Chatterji, Tapan and Kumar, Naveen and Wdowik, Urszula D.},
      title        = {{A}nomalous temperature-induced volume contraction in
                      {G}e{T}e},
      journal      = {Physical review / B},
      volume       = {91},
      number       = {5},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2015-06585},
      pages        = {054110},
      year         = {2015},
      abstract     = {The recent surge of interest in phase-change materials
                      GeTe, Ge2Sb2Te5, and related compounds motivated us to
                      revisit the structural phase transition in GeTe in more
                      detail than was done before. The rhombohedral-to-cubic
                      ferroelectric phase transition in GeTe has been studied
                      using high-resolution neutron powder diffraction on a
                      spallation neutron source. We determined the temperature
                      dependence of the structural parameters in a wide
                      temperature range extending from 309 to 973 K. The results
                      of our studies clearly show an anomalous volume contraction
                      of $0.6\%$ at the phase transition from the
                      rhombohedral-to-cubic phase. In order to better understand
                      the phase transition and the associated anomalous volume
                      decrease in GeTe, we have performed phonon calculations
                      based on the density functional theory. Results of the
                      present investigations are also discussed with respect to
                      the experimental data obtained for single crystals of GeTe.},
      cin          = {ICS-1 / Neutronenstreuung ; JCNS-1 / JCNS-SNS},
      ddc          = {530},
      cid          = {I:(DE-Juel1)ICS-1-20110106 / I:(DE-Juel1)JCNS-1-20110106 /
                      I:(DE-Juel1)JCNS-SNS-20110128},
      pnm          = {551 - Functional Macromolecules and Complexes (POF3-551) /
                      6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623)
                      / 6215 - Soft Matter, Health and Life Sciences (POF3-621)},
      pid          = {G:(DE-HGF)POF3-551 / G:(DE-HGF)POF3-6G4 /
                      G:(DE-HGF)POF3-6215},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000350314100001},
      doi          = {10.1103/PhysRevB.91.054110},
      url          = {https://juser.fz-juelich.de/record/276107},
}