A simple semi‐empirical model that correlates the Auger parameter to the ground state valence charge of the core‐ionized atom with closed valence shell configuration, and which was previously applied to Cu(I) (3d¹⁰) compounds, is extended to Ba (II) (5d¹⁰), Pb (II) (5d¹⁰4s²), and Zn (II) (3d¹⁰) compounds (halides and chalcogenides). Until now, the Auger parameter was employed to separate initial and final state effects that influence the core electron binding energy. In agreement with our model, a linear relationship is found between the Auger parameter shift and the ground state Bader valence charge obtained by density functional theory (DFT) calculations.

中文翻译：

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核心电离位置的俄歇参数与基态价电荷之间的关系

将先前用于Cu（I）（3d ¹⁰）化合物的简单半经验模型将Auger参数与具有封闭化合价壳构型的离子化原子的基态化合价相关联，该模型先前已应用于Cu（I）（3d ¹⁰）化合物。 II）（5d ¹⁰），Pb（II）（5d ¹⁰ 4s ²）和Zn（II）（3d ¹⁰）化合物（卤化物和硫属化物）。到目前为止，使用俄歇参数来分离影响核心电子结合​​能的初始和最终状态效应。与我们的模型一致，通过密度泛函理论（DFT）计算获得的俄歇参数位移与基态Bader价电荷之间存在线性关系。