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@INPROCEEDINGS{Ghorbani:874416,
      author       = {Ghorbani, Elaheh and Albe, Karsten},
      title        = {{A} {F}irst-{P}rinciples {S}tudy on the {R}ole of {D}efects
                      and {I}mpurities in $\beta-{I}n_2{S}_3$},
      volume       = {50},
      address      = {Jülich},
      publisher    = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
      reportid     = {FZJ-2020-01426},
      series       = {Publication Series of the John von Neumann Institute for
                      Computing (NIC) NIC Series},
      pages        = {221 - 229},
      year         = {2020},
      comment      = {NIC Symposium 2020},
      booktitle     = {NIC Symposium 2020},
      abstract     = {CdS is a well-established buffer layer for Cu(In, Ga)(S,
                      Se)$_2$ (CIGS)-based thin film solar cells. However, because
                      of its toxicity, low quantum efficiency at blue-wavelength
                      region, and the drawbacks of the chemical bath deposition
                      technique used for its growth, looking for an alternative
                      buffer material has been a matter of debate in recent years.
                      In this context, $\beta-In_2S_3$ is considered as a
                      promising substitution for CdS. $\beta-In_2S_3$ crystallises
                      in an ordered vacancy spinel-like structure, which can
                      accommodate impurities diffusing from the absorber and/or
                      front contact layers. Due to the existence of structural
                      vacancies in its crystalline matrix, the electronic and
                      optical properties of $\beta-In_2S_3$ can be effectively
                      tuned through (un)intentional doping with a third element.
                      In this contribution, we will report on the origin of n-type
                      conductivity of $\beta-In_2S_3$, the influence of Cu and Na
                      incorporation, the thermodynamic stability and electronic
                      properties of $\beta-In_2S_3$, and the influence of O and Cl
                      on electronic properties of $\beta-In_2S_3$.},
      month         = {Feb},
      date          = {2020-02-27},
      organization  = {NIC Symposium 2020, Jülich (Germany),
                       27 Feb 2020 - 28 Feb 2020},
      cin          = {NIC},
      cid          = {I:(DE-Juel1)NIC-20090406},
      pnm          = {899 - ohne Topic (POF3-899)},
      pid          = {G:(DE-HGF)POF3-899},
      typ          = {PUB:(DE-HGF)8 / PUB:(DE-HGF)7},
      url          = {https://juser.fz-juelich.de/record/874416},
}