Comparison of the electronic structures of hydrated and unhydrated NaxCoO2:: The effect of H2O -: art. no. 014507

被引：46
|
作者：
Johannes, MD [1 ]
Singh, DJ [1 ]
机构：
[1] USN, Res Lab, Washington, DC 20375 USA
来源：
PHYSICAL REVIEW B | 2004年 / 70卷 / 01期
关键词：
D O I：
10.1103/PhysRevB.70.014507
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We report electronic structure calculations within density functional theory for the hydrated superconductor Na(1/3)CoO(2)1.33H(2)O and compare the results with the parent compound Na0.3CoO2. We find that the intercalation of water into the parent compound has little effect on the Fermi surface outside of the predictable effects of expansion, in particular increased two dimensionality. This implies an intimate connection between the electronic properties of the hydrated and unhydrated phases.
引用
收藏
页码：014507 / 1
页数：5
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