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@ARTICLE{Paschinger:811503,
      author       = {Paschinger, W. and Rogl, G. and Grytsiv, A. and Michor, H.
                      and Heinrich, P. R. and Puchegger, S. and Klobes, B. and
                      Reinecker, M. and Eisenmenger-Sitter, Ch. and Broz, P. and
                      Giester, G. and Zehetbauer, M. and Rogl, P. F. and Müller,
                      H. and Bauer, E. and Hermann, Raphael},
      title        = {{B}a-filled {N}i–{S}b–{S}n based skutterudites with
                      anomalously high lattice thermal conductivity},
      journal      = {Dalton transactions},
      volume       = {45},
      number       = {27},
      issn         = {1477-9234},
      address      = {London},
      publisher    = {Soc.},
      reportid     = {FZJ-2016-03960},
      pages        = {11071 - 11100},
      year         = {2016},
      abstract     = {Novel filled skutterudites BayNi4Sb12−xSnx (ymax = 0.93)
                      have been prepared by arc melting followed by annealing at
                      250, 350 and 450 °C up to 30 days in vacuum-sealed quartz
                      vials. Extension of the homogeneity region, solidus
                      temperatures and structural investigations were performed
                      for the skutterudite phase in the ternary Ni–Sn–Sb and
                      in the quaternary Ba–Ni–Sb–Sn systems. Phase
                      equilibria in the Ni–Sn–Sb system at 450 °C were
                      established by means of Electron Probe Microanalysis (EPMA)
                      and X-ray Powder Diffraction (XPD). With rather small cages
                      Ni4(Sb,Sn)12, the Ba–Ni–Sn–Sb skutterudite system is
                      perfectly suited to study the influence of filler atoms on
                      the phonon thermal conductivity. Single-phase samples with
                      the composition Ni4Sb8.2Sn3.8, Ba0.42Ni4Sb8.2Sn3.8 and
                      Ba0.92Ni4Sb6.7Sn5.3 were used to measure their physical
                      properties, i.e. temperature dependent electrical
                      resistivity, Seebeck coefficient and thermal conductivity.
                      The resistivity data demonstrate a crossover from metallic
                      to semiconducting behaviour. The corresponding gap width was
                      extracted from the maxima in the Seebeck coefficient data as
                      a function of temperature. Single crystal X-ray structure
                      analyses at 100, 200 and 300 K revealed the thermal
                      expansion coefficients as well as Einstein and Debye
                      temperatures for Ba0.73Ni4Sb8.1Sn3.9 and
                      Ba0.95Ni4Sb6.1Sn5.9. These data were in accordance with the
                      Debye temperatures obtained from the specific heat (4.4 K <
                      T < 140 K) and Mössbauer spectroscopy (10 K < T < 290 K).
                      Rather small atom displacement parameters for the Ba filler
                      atoms indicate a severe reduction in the “rattling
                      behaviour” consistent with the high levels of lattice
                      thermal conductivity. The elastic moduli, collected from
                      Resonant Ultrasonic Spectroscopy ranged from 100 GPa for
                      Ni4Sb8.2Sn3.8 to 116 GPa for Ba0.92Ni4Sb6.7Sn5.3. The
                      thermal expansion coefficients were 11.8 × 10−6 K−1 for
                      Ni4Sb8.2Sn3.8 and 13.8 × 10−6 K−1 for
                      Ba0.92Ni4Sb6.7Sn5.3. The room temperature Vickers hardness
                      values vary within the range from 2.6 GPa to 4.7 GPa. Severe
                      plastic deformation via high-pressure torsion was used to
                      introduce nanostructuring; however, the physical properties
                      before and after HPT showed no significant effect on the
                      materials thermoelectric behaviour.},
      cin          = {JCNS-2 / PGI-4 / JARA-FIT},
      ddc          = {540},
      cid          = {I:(DE-Juel1)JCNS-2-20110106 / I:(DE-Juel1)PGI-4-20110106 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {144 - Controlling Collective States (POF3-144) / 524 -
                      Controlling Collective States (POF3-524) / 6212 - Quantum
                      Condensed Matter: Magnetism, Superconductivity (POF3-621) /
                      6213 - Materials and Processes for Energy and Transport
                      Technologies (POF3-621) / 6G4 - Jülich Centre for Neutron
                      Research (JCNS) (POF3-623)},
      pid          = {G:(DE-HGF)POF3-144 / G:(DE-HGF)POF3-524 /
                      G:(DE-HGF)POF3-6212 / G:(DE-HGF)POF3-6213 /
                      G:(DE-HGF)POF3-6G4},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000379593800025},
      pubmed       = {pmid:27328131},
      doi          = {10.1039/C6DT01298A},
      url          = {https://juser.fz-juelich.de/record/811503},
}