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@ARTICLE{Bhui:639320,
      author       = {Bhui, Animesh and Biswas, Shuva and Paul, Sayan and Das,
                      Subarna and Ghosh, Adrija and Swain, Diptikanta and Maji,
                      Tapas Kumar and Pati, Swapan Kumar and Biswas, Kanishka},
      title        = {{A}tomic {O}ff-{C}entering {D}riven {P}honon-{G}lass
                      {E}lectron-{C}rystal-like {T}hermoelectric {T}ransport in
                      {E}ntropy-{S}tabilized {Q}uinary {T}elluride},
      journal      = {Journal of the American Chemical Society},
      volume       = {147},
      number       = {32},
      issn         = {0002-7863},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {PUBDB-2025-04421},
      pages        = {29542 - 29553},
      year         = {2025},
      abstract     = {Entropy engineering offers innovative design opportunities
                      for synthesizing new thermoelectric materials by integrating
                      conflicting physical parameters. Optimization of
                      configurational entropy holds the potential to
                      simultaneously reduce the thermal conductivity through
                      inherent disorder and enhance the Seebeck coefficient by
                      symmetrizing the crystal lattice, both of which are crucial
                      to augmenting the thermoelectric performance of a
                      crystalline solid. Here, we synthesized an
                      entropy-stabilized quinary metal telluride single crystal,
                      AgGeSnSbTe4, exhibiting an intriguing phonon-glass
                      electron-crystal (PGEC)-like thermoelectric transport.
                      Synchrotron X-ray pair distribution function (X-PDF)
                      analysis infers that entropy-driven stabilization generates
                      a highly symmetric rock-salt average structure but is
                      accompanied by cation distortion in the local structure,
                      which further enhances with temperature, reminiscent of
                      emphanisis. Local lattice distortion-induced anharmonicity
                      with considerable atomic disorder leads to glass-like
                      lattice thermal conductivity, where the phonon mean free
                      path approaches the interatomic distance. Phonon dispersion
                      analysis corroborates the presence of local symmetry
                      breaking, primarily driven by the off-centering displacement
                      of Ge atoms due to the stereochemical expression of the 4s2
                      lone pair, which results in local ferroelectric lattice
                      instability. Notably, the glassy thermal conductivity is
                      complemented by good electrical conductivity and a high
                      Seebeck coefficient, enabled through long-range atomic order
                      within the average cubic framework. The realization of the
                      PGEC paradigm results in a promising thermoelectric
                      figure-of-merit (zT) of ∼1.2 at 670 K in the
                      Bridgman-grown AgGeSnSbTe4 crystal.},
      cin          = {DOOR ; HAS-User},
      ddc          = {540},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {6G3 - PETRA III (DESY) (POF4-6G3) / INDIA-DESY - INDIA-DESY
                      Collaboration $(2020_Join2-INDIA-DESY)$},
      pid          = {G:(DE-HGF)POF4-6G3 / $G:(DE-HGF)2020_Join2-INDIA-DESY$},
      experiment   = {EXP:(DE-H253)P-P02.1-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:40729560},
      doi          = {10.1021/jacs.5c10635},
      url          = {https://bib-pubdb1.desy.de/record/639320},
}