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

动量，电荷和磁化强度密度的同时分析是一个很好的程序，用于深入了解磁有序材料的电子结构，如3d过渡金属氧化物Co3V2O8。在这种情况下，不同的方法已经采用，以涵盖两个基本的密度分布：未成对电子的密度分布已被调查在真实的空间的极化中子衍射技术和动量空间的磁康普顿散射。此外，电子密度的计算还需要通过短波长同步辐射和X射线实验室测量以及会聚束电子衍射（CBED）来进行。实验密度的相关性是一个强大的工具，它允许获得有趣的和有意义的结果，关于磁形状因子和元素特定程度的电子配置中的共价性。三维轨道占据的细化应该提供一个理论模型，能够解释超交换相互作用产生的磁性。此外，所涉及的物种的磁矩的自旋和轨道部分的推导，这可以基于X射线圆磁二向色性（XMCD）确定将产生必要的信息的不同元素（Co，V，O）的正确贡献的密度分布。超交换相互作用应该通过自旋和轨道矩的知识进行量子化，这将有助于澄清3d过渡金属磁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.