Correlated momentum, charge and magnetization density in the kagome staircase system Co3V2O8

同时分析动量、电荷和磁化密度是深入了解磁性有序材料（如3d过渡金属氧化物Co3V2O8）电子结构的极好方法。在这种情况下，已经采用了不同的方法来涵盖两种基本的密度分布：用偏振中子衍射技术研究了实空间中的未配对电子的密度分布，用磁康普顿散射研究了动量空间中的未配对电子的密度分布。此外，还应通过短波同步辐射和x射线实验室测量以及会聚束电子衍射（CBED）来推导电子密度。实验密度的相关性是一个强大的工具，它允许获得关于磁性形状因素和电子构型中元素特定共价程度的有趣和有意义的结果。三维轨道占位的细化应该提供一个理论模型，能够解释由超交换相互作用产生的磁性。此外，根据x射线圆磁二色性（XMCD）确定的相关物质的磁矩的自旋和轨道部分的推导将为不同元素（Co， V， O）对密度分布的正确贡献提供必要的信息。利用自旋和轨道矩的知识对超交换相互作用进行量子化，这将有助于澄清三维过渡金属磁性有序氧化物中的化学键。

The simultaneous analysis of the momentum, charge and magnetization density is an excellent procedure for gaining insights into the electronic structure of magnetically ordered materials like the 3d transition metal oxide Co3V2O8. In this context different methods have already been employed in order to cover two of the fundamental density distributions: The density distribution of unpaired electrons has been investigated in real space by the polarized neutron diffraction technique and in momentum space by magnetic Compton scattering. In addition the electron density should be deduced by short wavelength synchrotron radiation and X-ray laboratory measurements as well as convergent beam electron diffraction (CBED). The correlation of the experimental densities is a powerful tool, which permits to obtain interesting and meaningful results concerning the magnetic form factors and the element specific degree of covalency in the electronic configuration. The refinement of the 3d orbital occupation should provide a theoretical model, capable to explain the magnetic properties resulting from superexchange interactions. Furthermore, the deduction of the spin and orbital part of the magnetic moments of the involved species, which can be determined based on Xray Circular Magnetic Dichroism (XMCD) will yield the necessary information for the correct contribution of the different elements (Co, V, O) to the density distributions. The superexchange interactions should by quantized with the knowledge of the spin and orbital moments, which will contribute to the clarification of the chemical bond in the magnetically ordered oxides of the 3d transition metals.