On the Ordering of Na$^+$ Ions in Na$_x$CoO$_2$

Details On the Ordering of Na$^+$ Ions in Na$_x$CoO$_2$ On the Ordering of Na$^+$ Ions in Na$_x$CoO$_2$

2005-10-18

arxiv.org/abs/cond-mat/0510468v1

Physics

Condensed Matter

Strongly Correlated Electrons

Talk at LT24 International Conference, Orlando, FLO, USA. August 2005. Accepted for publication in LT24 Conference Proceedings

Scientific paper

10.1063/1.2355140

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.

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