Geck J, von Zimmermann M, Berger H, Borisenko S V, Eschrig H, Koepernik K, Knupfer M, Büchner B
Leibniz Institute for Solid State and Materials Research IFW Dresden, Helmholtzstrasse 20, 01069 Dresden, Germany.
Phys Rev Lett. 2006 Sep 8;97(10):106403. doi: 10.1103/PhysRevLett.97.106403. Epub 2006 Sep 7.
We present a combined high-energy x-ray diffraction and local-density approximation study of the sodium ordering in Na(0.75)CoO2. The obtained results rule out previously proposed Na-ordering models and provide strong evidence for the formation of sodium-density stripes in this material. The local-density approximation calculations prove that the sodium-density stripes lead to a sizable dip in the density of the Co states at the Fermi level, pointing to band structure effects as a driving force for the stripe formation. This indicates that the sodium ordering is connected to stripelike charge correlations within the CoO2 layers, leading to an astonishing similarity between the doped cuprates and the NaxCoO2 compounds.
我们展示了一项关于Na(0.75)CoO2中钠有序化的高能X射线衍射和局域密度近似相结合的研究。所得结果排除了先前提出的钠有序化模型,并为该材料中钠密度条纹的形成提供了有力证据。局域密度近似计算证明,钠密度条纹导致费米能级处Co态密度出现显著下降,表明能带结构效应是条纹形成的驱动力。这表明钠有序化与CoO2层内的条纹状电荷关联有关,导致掺杂铜酸盐与NaxCoO2化合物之间存在惊人的相似性。