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@ARTICLE{Cagnoni:867954,
      author       = {Cagnoni, Matteo and Führen, Daniel and Wuttig, Matthias},
      title        = {{T}hermoelectric {P}erformance of {IV}-{VI} {C}ompounds
                      with {O}ctahedral-{L}ike {C}oordination: {A}
                      {C}hemical-{B}onding {P}erspective},
      journal      = {Advanced materials},
      volume       = {30},
      number       = {33},
      issn         = {0935-9648},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2019-06547},
      pages        = {1801787 -},
      year         = {2018},
      abstract     = {Thermoelectric materials provide a challenge for materials
                      design, since they require optimization of apparently
                      conflicting properties. The resulting complexity has favored
                      trial‐and‐error approaches over the development of
                      simple and predictive design rules. In this work, the
                      thermoelectric performance of IV–VI chalcogenides on the
                      tie line between GeSe and GeTe is investigated. From a
                      combination of optical reflectivity and electrical transport
                      measurements, it is experimentally proved that the
                      outstanding performance of IV–VI compounds with
                      octahedral‐like coordination is due to the anisotropy of
                      the effective mass tensor of the relevant charge carriers.
                      Such an anisotropy enables the simultaneous realization of
                      high Seebeck coefficients, due to a large
                      density‐of‐states effective mass, and high electrical
                      conductivity, caused by a small conductivity effective mass.
                      This behavior is associated to a unique bonding mechanism by
                      means of a tight‐binding model, which relates band
                      structure and bond energies; tuning the latter enables
                      tailoring of the effective mass tensor. The model thus
                      provides atomistic design rules for thermoelectric
                      chalcogenides.},
      cin          = {PGI-10},
      ddc          = {660},
      cid          = {I:(DE-Juel1)PGI-10-20170113},
      pnm          = {521 - Controlling Electron Charge-Based Phenomena
                      (POF3-521)},
      pid          = {G:(DE-HGF)POF3-521},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:29975431},
      UT           = {WOS:000441411500020},
      doi          = {10.1002/adma.201801787},
      url          = {https://juser.fz-juelich.de/record/867954},
}