%0 Conference Paper
%A Ghorbani, Elaheh
%A Albe, Karsten
%T A First-Principles Study on the Role of Defects and Impurities in $\beta-In_2S_3$
%V 50
%C Jülich
%I Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag
%M FZJ-2020-01426
%B Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series
%P 221 - 229
%D 2020
%< NIC Symposium 2020
%X 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 $\beta-In_2S_3$.
%B NIC Symposium 2020
%C 27 Feb 2020 - 28 Feb 2020, Jülich (Germany)
Y2 27 Feb 2020 - 28 Feb 2020
M2 Jülich, Germany
%F PUB:(DE-HGF)8 ; PUB:(DE-HGF)7
%9 Contribution to a conference proceedingsContribution to a book
%U https://juser.fz-juelich.de/record/874416