Passivation of Double-Positioning Twin Boundaries in CdTe

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

doi:10.1063/1.1758313

Passivation of Double-Positioning Twin Boundaries in CdTe

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

Materials Science

National Renewable Energy Laboratory

Research output: Contribution to journal › Article › peer-review

33 Scopus Citations

Abstract

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 language	American English
Pages (from-to)	320-326
Number of pages	7
Journal	Journal of Applied Physics
Volume	96
Issue number	1
DOIs	https://doi.org/10.1063/1.1758313 https://doi.org/10.1063/1.1758313
State	Published - 2004

NREL Publication Number

NREL/JA-520-35072

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title = "Passivation of Double-Positioning Twin Boundaries in CdTe",

abstract = "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.",

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AB - 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.

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Passivation of Double-Positioning Twin Boundaries in CdTe

Abstract

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