Effect of Intermixing at CdS/CdTe Interface on Defect Properties

Teresa Barnes, Jihui Yang, Su-Huai Wei, Ji-Sang Park

Research output: Contribution to journalArticlepeer-review

11 Scopus Citations


We investigated the stability and electronic properties of defects in CdTe1-xSx that can be formed at the CdS/CdTe interface. As the anions mix at the interface, the defect properties are significantly affected, especially those defects centered at cation sites like Cd vacancy, VCd, and Te on Cd antisite, TeCd, because the environment surrounding the defect sites can have different configurations. We show that at a given composition, the transition energy levels of VCd and TeCd become close to the valence band maximum when the defect has more S atoms in their local environment, thus improving the device performance. Such beneficial role is also found at the grain boundaries when the Te atom is replaced by S in the Te-Te wrong bonds, reducing the energy of the grain boundary level. On the other hand, the transition levels with respect to the valence band edge of CdTe1-xSx increases with the S concentration as the valence band edge decreases with the S concentration, resulting in the reduced p-type doping efficiency.

Original languageAmerican English
Article numberArticle No. 042105
Number of pages4
JournalApplied Physics Letters
Issue number4
StatePublished - 25 Jul 2016

Bibliographical note

Publisher Copyright:
© 2016 Author(s).

NREL Publication Number

  • NREL/JA-5K00-66931


  • band gap
  • bond formation
  • defect levels
  • II-VI semiconductors
  • Jahn Teller effect


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