Probing covalency with oxidant K edge x-ray absorption spectroscopy of UF4 and UO2

被引：1

作者：

Tobin, J. G. ^{[1
]}

Yu, S. -W. ^{[2
]}

Qiao, R. ^{[3
]}

Yang, W. L. ^{[3
]}

Shuh, D. K. ^{[3
]}

机构：

[1] Univ Wisconsin, Oshkosh, WI 54901 USA

[2] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA

[3] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA

来源：

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A | 2018年 / 36卷 / 06期

关键词：

ELECTRONIC-STRUCTURE; AG;

D O I：

10.1116/1.5046947

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

There are some interesting discrepancies between what has been observed experimentally and the predictions of cluster theory. In particular, the F 1s x-ray absorption spectroscopy (XAS) of uranium tetrafluoride and the U 4d XAS branching ratio for oxidized uranium are two cases in point. These discrepancies may be driven by the overestimation of covalency in cluster calculations. Published by the AVS.

引用

页数：4

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