铀的电子能量损失谱密度泛函理论计算及实验研究

Study of EELS of uranium by density functional theory calculations and experiments

采用密度泛函理论计算及实验获取了铀的电子能量损失谱(Electronenergylossspec-troscopy,简称EELS)。计算的谱峰位置与实验一致。结合计算得到铀的能带及态密度对计算谱及实验谱特征峰进行分析,结果表明:由于铀的5f电子形成窄带对等离子体振荡贡献较小,6p电子的共振跃迁致使等离子振荡频率降低;实验谱中13.3eV能量损失峰为体等离子体振荡峰,20.3eV能量损失峰为6p能带到费米能级跃迁能量损失峰,27.6eV能量损失峰为两次体等离子振荡吸收峰。

Electron energy loss spectroscopy（EELS）of uranium have been studied by density functional theory calculations and experiments. The calculated characteristic peak positions are well accordance with the experiment result. With the calculated band structure of Uranium it is showed that the peak at 13.3 eV is bulk plasmon（BP） ; the peak at 20eV is the 6p-EF excition adsorption and the peak at 27.6 eV is the twice BP adsorption.