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@ARTICLE{Faka:1043533,
      author       = {Faka, Vasiliki and Lange, Martin A. and Daisenberger,
                      Dominik and Böger, Thorben and Martinez de Irujo-Labalde,
                      Xabier and Fallon, M. Jewels and Kieslich, Gregor and Zeier,
                      Wolfgang G.},
      title        = {{S}olid {I}on {C}onductors under {P}ressure: {I}n {S}itu
                      {M}onitoring of the {T}etragonal to {C}ubic {P}hase
                      {T}ransition of ${N}a_3{S}b{S}_4$ and ${N}a_3{PS}_4$},
      journal      = {ACS materials letters},
      volume       = {7},
      issn         = {2639-4979},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {FZJ-2025-02909},
      pages        = {2648 - 2654},
      year         = {2025},
      abstract     = {The $Na_3PnS_4 (Pn = P, Sb)$ solid electrolytes are
                      promising candidates for sodium solid-state batteries due to
                      their potential high ionic conductivities. Structural
                      modifications of these materials can induce a
                      tetragonal-to-cubic phase transition, either by increasing
                      temperature or by aliovalent substitutions. In this study,
                      we introduce pressure as an alternative approach to observe
                      the tetragonal-to-cubic phase transition in these materials.
                      In situ synchrotron high-pressure powder X-ray diffraction
                      shows a tetragonal-to-cubic phase transition at pressures of
                      2.9 GPa for $Na_3SbS_4$ and 14.6 GPa for $Na_3PS_4$.
                      Rietveld refinements and symmetry analysis provide insights
                      into the displacive phase transition mechanism related to
                      the motion of $Na^+$ and the rotation of the $SbS_4^{3–}$
                      tetrahedra. Density functional theory calculations confirm
                      that the cubic phase becomes thermodynamically favorable
                      under high pressure compared to the tetragonal phase. These
                      findings highlight the importance of high-pressure
                      considerations in tailoring the properties of ionic
                      conductors, an area that remains underexplored.},
      cin          = {IMD-4},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IMD-4-20141217},
      pnm          = {1221 - Fundamentals and Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001518534500001},
      doi          = {10.1021/acsmaterialslett.5c00593},
      url          = {https://juser.fz-juelich.de/record/1043533},
}