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Comparison of the Electronic Structures of Hydrated and Unhydrated Na_xCoO_2: The Effect of H_2O

M. D. Johannes D. J. Singh
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Abstract

We report electronic structure calculations within density functional theory for the hydrated superconductor Na_{1/3}CoO_2(1.33)H_2O and compare the results with the parent compound Na_{0.3}CoO_2. We find that the intercalation of water into the parent compound has little effect on the Fermi surface outside of the predictable effects expansion, in particular increased two-dimensionality. This implies an intimate connection between the electronic properties of the hydrated and unhydrated phases.

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M. D. Johannes D. J. Singh. 2004-01-30. Comparison of the Electronic Structures of Hydrated and Unhydrated Na_xCoO_2: The Effect of H_2O. https://arxiv.org/abs/cond-mat/0401646

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