Passivation of Double-Positioning Twin Boundaries in CdTe

Yanfa Yan, M. M. Al-Jassim, K. M. Jones

Research output: Contribution to journalArticlepeer-review

33 Scopus Citations


The passivation effects of impurity elements such as Br, Cl, S, and Na on double-positioning twin boundaries in CdTe were investigated using density-functional total-energy calculations. Br, Cl, S, and O atoms were found to passivate the boundaries while no passivation effects of H and Na were observed. The substitutional impurity atoms were found to introduce energy levels in the band gap. The results indicate towards the best passivation effects of Cl atoms on the double-positioning twin boundaries.

Original languageAmerican English
Pages (from-to)320-326
Number of pages7
JournalJournal of Applied Physics
Issue number1
StatePublished - 2004

NREL Publication Number

  • NREL/JA-520-35072


Dive into the research topics of 'Passivation of Double-Positioning Twin Boundaries in CdTe'. Together they form a unique fingerprint.

Cite this