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@ARTICLE{Dai:916205,
      author       = {Dai, Yu and Zhou, Wenjiang and Kim, Hyun-Jung and Song,
                      Qichen and Qian, Xin and Liu, Te-Huan and Yang, Ronggui},
      title        = {{S}imultaneous enhancement in electrical conductivity and
                      {S}eebeck coefficient by single- to double-valley transition
                      in a {D}irac-like band},
      journal      = {npj computational materials},
      volume       = {8},
      number       = {1},
      issn         = {2057-3960},
      address      = {London},
      publisher    = {Nature Publ. Group},
      reportid     = {FZJ-2022-06006},
      pages        = {234},
      year         = {2022},
      abstract     = {SnTe possesses a single- to double-valley transition in the
                      conduction band minimum when a compressive strain is
                      applied. Through a tight-binding analysis, it is shown that
                      the variation of the band structure is attributed to the
                      strain-induced delocalization of both the Sn-5s orbitals and
                      Te-5p orbitals with different angular momenta. This effect
                      can largely increase the electron density of states near the
                      band edge and thus keep the Fermi level of the compressed
                      SnTe closer to it, where the electrons have lower scattering
                      rates. The strain-induced double valleys lead to
                      simultaneous increases in the electrical conductivity and
                      the Seebeck coefficient and thereby nearly four times the
                      enhancement of the power factor at the doping concentration
                      of 5×1019 cm–3. This work suggests a feasible concept
                      that can be employed to promote the power factor of a Dirac
                      semiconductor via manipulating the valley degeneracy in the
                      conduction band minimum.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
      ddc          = {004},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
      pnm          = {5211 - Topological Matter (POF4-521)},
      pid          = {G:(DE-HGF)POF4-5211},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000882382700001},
      doi          = {10.1038/s41524-022-00927-z},
      url          = {https://juser.fz-juelich.de/record/916205},
}