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@ARTICLE{Akola:5495,
      author       = {Akola, J. and Jones, R. O.},
      title        = {{S}tructure of liquid phase change material
                      {A}g{I}n{S}b{T}e from density functional/molecular dynamics
                      simulations},
      journal      = {Applied physics letters},
      volume       = {94},
      issn         = {0003-6951},
      address      = {Melville, NY},
      publisher    = {American Institute of Physics},
      reportid     = {PreJuSER-5495},
      year         = {2009},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {The liquid phase of the AgInSbTe phase change material
                      Ag3.5In3.8Sb75.0Te17.7 has been studied using molecular
                      dynamics/density functional simulations. The calculated
                      structure factor and total pair distribution function agree
                      very well with high-energy x-ray diffraction measurements.
                      We find that: (a) there are signs of medium-range order, (b)
                      Ag and In prefer to be near Te rather than Sb atoms, and
                      promote octahedral coordination in association with Te, (c)
                      Ag is the most mobile element, has the shortest bonds
                      (2.8-2.9 A degrees) and the highest coordination (5.5), and
                      is anionic with the largest effective charge, and (d) there
                      are few cavities $(4\%$ of volume).},
      keywords     = {J (WoSType)},
      cin          = {IFF-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB781},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK414},
      shelfmark    = {Physics, Applied},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000267431700023},
      doi          = {10.1063/1.3157166},
      url          = {https://juser.fz-juelich.de/record/5495},
}