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The electronic band structures of the parent compound Na0.3CoO2 and thehydrated superconductor Na0.3CoO2.1.3H2O were evaluated using the local spindensity approximation (LSDA). Systematic analysis on the bands near the Fermisurface (FS) revealed that the hydration-induced modifications appear, notablyin the valence charge density and the orbital hybridization. The most strikingchanges are the decrease of density in Cobalt's a1g state and therehybridization between O 2p and Co a1g in the hydrated superconducting phase.These hydration-induced modifications could yield visible differences ininterband excitations and dielectric functions. Experimental results ofelectron energy-loss spectroscopy (EELS) are fundamentally in agreement withthe theoretical predictions for the hydrated Na0.3CoO2.yH2O.Comment: 15 pages, 4 figure

physical review. b, condensed matter and materials physics

Influence of water concentration on the electronic band structure of the hydrated<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="normal">Na</mml:mi><mml:mn>0.3</mml:mn></mml:msub><mml:mi mathvariant="normal">Co</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mo>∙</mml:mo><mml:mi>y</mml:mi><mml:msub><mml:mi mathvariant="normal">H</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant="…

Influence of water concentration on the electronic band structure of the hydratedNa0.3CoO2∙yH2