| 碘甲烷分子内层轨道的电子动量谱学研究 |
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| 引用本文： | 赵敏福,牛珊珊,田启国,杨 靖,单 旭,陈向军.碘甲烷分子内层轨道的电子动量谱学研究[J].化学物理学报,2021,34(3):281-286. |
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| 作者姓名： | 赵敏福 牛珊珊 田启国 杨 靖 单 旭 陈向军 |
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| 作者单位： | 中国科学技术大学近代物理系，合肥微尺度物质科学国家研究中心，合肥 230026；皖西学院实验实训教学管理部，原子分子与光学应用研究中心，六安 237012 |
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| 摘 要： | 本文利用电子动量谱仪在1200 eV电子碰撞能量下测量了碘甲烷分子内层轨道电子束缚能谱和电子动量分布. 在能谱上观测到自旋-轨道耦合作用导致的两个分裂峰，得到了它们对应的电子动量分布. 采用相对论密度泛函理论方法计算了自旋-轨道分裂成分的电子动量分布，计算结果在电子动量大于1.0 a.u.区域内与实验测量符合很好，但在动量小于1.0 a.u.区域内严重低估了实验. 扭曲波理论计算很好地解释了低动量区的实验结果.
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| 关 键 词： | 电子动量谱学，自旋-轨道耦合效应，扭曲波效应，碘甲烷分子 |
| 收稿时间： | 2020/10/2 0:00:00 |
Electron Momentum Spectroscopy Study on Inner Orbitals of Methyl iodide |
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| Min-fu Zhao,Shan-shan Niu,Qi-guo Tian,Jing Yang,Xu Shan,Xiang-jun Chen.Electron Momentum Spectroscopy Study on Inner Orbitals of Methyl iodide[J].Chinese Journal of Chemical Physics,2021,34(3):281-286. |
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| Authors: | Min-fu Zhao Shan-shan Niu Qi-guo Tian Jing Yang Xu Shan Xiang-jun Chen |
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| Abstract: | The binding energy spectrum and electron momentum profiles of the inner orbitals of methyl iodide have been measured using an electron momentum spectrometer at the impact energy of 1200 eV plus binding energy. Two peaks in the binding energy spectrum, arising from the spin-orbit splitting, are observed and the corresponding electron momentum profiles are obtained. Relativistic density functional calculations are performed to elucidate the experimental electron momentum profiles of two spin-orbit splitting components, showing agreement with each other except for the intensity in low momentum
region. The measured high intensity in the low momentum region can be further explained by the distorted wave calculation. |
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| Keywords: | Electron momentum spectroscopy Relativistic effect Spin-orbit coupling Distorted wave effect |
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