Influence of water concentration on the electronic band structure of the hydrated Na0.3CoO2∙yH2O superconductor using a local spin density approximation
R. J. Xiao, H. X. Yang, J. Q. Li
DOI 10.1103/PhysRevB.73.092517 · Physical Review B
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Abstract
The electronic band structures of the parent compound Na0.3CoO2 and the hydrated superconductor Na0.3CoO2∙1.3H2O were evaluated using the local spin density approximation. Systematic analysis on the bands near the Fermi surface revealed that the hydration-induced modifications appear, notably in the valence charge density and the orbital hybridization. The most striking changes are the decrease of density in Cobalt’s a1g state and the rehybridization between O 2p and Co a1g in the hydrated superconducting phase. These hydration-induced modifications could yield visible differences in interband excitations and dielectric functions. Experimental results of electron energy-loss spectroscopy are fundamentally in agreement with the theoretical predictions for the hydrated Na0.3CoO2∙yH2O.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Na0.3CoO2·1.3H2O Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
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