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Persistent URL http://purl.org/net/epubs/work/36141
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Record Id 36141
Title On the Ordering of Na+ Ions in NaxCoO2
Abstract The influence of electrostatic interactions on the ordering of sodium ions in Na$_x$CoO$_2$ is studied theoretically through Monte-Carlo simulations. For large $x$ small di- or tri-vacancy clusters are stable with respect to isolated Na vacancies. At commensurate fillings these small clusters order in triangular superstructures. These results agree with recent electron diffraction data at x=1/2 and 3/4. We have performed neutron La\"ue diffraction experiments at higher x, which confirm the predictions of this simple model. The consequences on the properties of the electronic charges in the Co layers are discussed.
Organisation CCLRC , ISIS , ISIS-SXD
Keywords ISIS 2006 , materials , neutron diffraction
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Language English (EN)
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Journal Article AIP Conf Proc 850, no. 1 (2006): 1213-1214. Is in proceedings of: 24th International Conference on Low Temperature Physics (LT24), Orlando, Florida, USA, 10-17 Aug 2005. doi:10.1063/1.2355140 2006