Direct insight into grain boundary reconstruction in polycrystalline Cu(In,Ga)Se2 with atomic resolution

Abou-Ras, D., Schaffer, B., Schaffer, M., Schmidt, S.S., Caballero, R. and Unold, T. (2012) Direct insight into grain boundary reconstruction in polycrystalline Cu(In,Ga)Se2 with atomic resolution. Physical Review Letters, 108(7), 075502. (doi: 10.1103/PhysRevLett.108.075502)

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Abstract

This work presents results from high-resolution scanning transmission electron microscopy and electron energy-loss spectroscopy on twin boundaries (TBs) and nontwin grain boundaries (GBs) in Cu(In,Ga)Se2 thin films. It is shown that the atomic reconstruction is different for different symmetries of the grain boundaries. We are able to confirm the model proposed by Persson and Zunger [ Phys. Rev. Lett. 91 266401 (2003)] for Se-Se-terminated Σ3 {112} TBs, showing Cu depletion and In enrichment in the two atomic planes closest to the TB. On the contrary, Cu depletion without In enrichment is detected for a cation-Se-terminated TB. At nontwin GBs, always a strong anticorrelation of Cu and In signals is detected suggesting that the formation of InCu or CuIn antisites within a very confined region of smaller than 1 nm is an essential element in the reconstruction of these GBs.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Schaffer, Dr Bernhard and Schaffer, Dr Miroslava
Authors: Abou-Ras, D., Schaffer, B., Schaffer, M., Schmidt, S.S., Caballero, R., and Unold, T.
Subjects:Q Science > QC Physics
College/School:College of Science and Engineering > School of Physics and Astronomy
Journal Name:Physical Review Letters
Publisher:American Physical Society
ISSN:0031-9007
ISSN (Online):1079-7114
Published Online:15 February 2012

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