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Electrical properties of point defects in CdS and ZnS

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We investigate native point defects in CdS and ZnS, which are conventional n-type buffer layers used in thin-film solar cells. Using hybrid functional calculations, we characterize the electrical behavior of these defects and also consider common impurities such as O, H, and their complexes. We find cation vacancies are the dominant compensating acceptors and recombination centers, and their effects are more dramatic in ZnS than in CdS. We also determine the band alignment for conventional Cu(In,Ga)Se2-based solar cells, giving insight into why CdS outperforms ZnS and why Zn oxysulfides are promising due to their improved conduction band offsets.
Title: Electrical properties of point defects in CdS and ZnS
Description:
We investigate native point defects in CdS and ZnS, which are conventional n-type buffer layers used in thin-film solar cells.
Using hybrid functional calculations, we characterize the electrical behavior of these defects and also consider common impurities such as O, H, and their complexes.
We find cation vacancies are the dominant compensating acceptors and recombination centers, and their effects are more dramatic in ZnS than in CdS.
We also determine the band alignment for conventional Cu(In,Ga)Se2-based solar cells, giving insight into why CdS outperforms ZnS and why Zn oxysulfides are promising due to their improved conduction band offsets.

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