论文标题
高分辨率X射线吸收光谱在铀M4边缘的理论建模
Theoretical Modelling of High-Resolution X-Ray Absorption Spectra at Uranium M4 Edge
论文作者
论文摘要
我们研究了出现在铀原子在U 6+氧化态的化合物中在铀M 4边缘测得的高分辨率X射线吸收光谱中出现的卫星特征的起源。我们采用特定于材料的安德森杂质模型，该模型从密度功能理论获得的电子结构中得出。
We investigate the origin of satellite features that appear in the high-resolution x-ray absorption spectra measured at the uranium M 4 edge in compounds where the uranium atoms are in the U 6+ oxidation state. We employ a material-specific Anderson impurity model derived from the electronic structure obtained by the density-functional theory.
