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Underlying simplicity of 5f unoccupied electronic structure
Journal of Vacuum Science & Technology A ( IF 2.4 ) Pub Date : 2021-06-03 , DOI: 10.1116/6.0001007
J. G. Tobin 1 , S. Nowak 2 , S.-W. Yu 3 , P. Roussel 4 , R. Alonso-Mori 2 , T. Kroll 2 , D. Nordlund 2 , T.-C. Weng 2 , D. Sokaras 2
Affiliation  

Using a simple empirical model based upon the bremsstrahlung isochromat spectroscopy of elemental Th, it is possible to explain the recent high energy resolution fluorescence detection measurements of UF4 (n = 2) and UCd11 (n = 3) as well as the new inverse photoelectron spectroscopy of Pu2O3 (n = 5), where n is the 5f occupation number. A critical issue in this analysis is the assumption that the Th 5f states are essentially empty, which will be confirmed both experimentally and computationally. Thus, for 5f systems, this simple model provides a unified and consistent picture of 5f unoccupied density of states in simple, localized systems, as the 5f occupation varies in the early part of the series, for n = 0, 2, 3, and 5.

中文翻译:

5f 空置电子结构的底层简单性

使用基于元素 Th 轫致辐射等色光谱的简单经验模型,可以解释最近对 UF 4 (n = 2) 和 UCd 11 (n = 3) 以及新的逆的高能量分辨率荧光检测测量Pu 2 O 3 (n = 5) 的光电子能谱,其中 n 是 5f 占据数。该分析中的一个关键问题是假设 Th 5f 状态基本上是空的,这将通过实验和计算得到证实。因此,对于 5f 系统,这个简单的模型提供了简单、局部系统中 5f 未占据状态密度的统一和一致的图片,因为 5f 占据在系列的早期有所不同,对于 n = 0、2、3 和5.
更新日期:2021-07-02
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