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碘甲烷分子内层轨道的电子动量谱学研究

Electron Momentum Spectroscopy Study on Inner Orbitals of Methyl iodide
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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. 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 e V 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.
作者 赵敏福 牛珊珊 田启国 杨靖 单旭 陈向军 Min-fu Zhao;Shan-shan Niu;Qi-guo Tian;Jing Yang;Xu Shan;Xiang-jun Chen(Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics,University of Science and Technology of China,Hefei 230026,China;Department of Experiment and Practical Training Management,Research Center of Atoms and Molecules and Optical Applications,West Anhui University,Lu'an 237012,China)
出处 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2021年第3期281-286,I0047,共7页 化学物理学报(英文)
基金 supported by the National Natural Science Foundation of China (No.11534011 and No.11874339) the Natural Science Research Programme of Education Department of Anhui Province (No.KJ2013A260 and No.KJ2016A749)。
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 Electron momentum spectroscopy Relativistic effect Spin-orbit coupling Distorted wave effect
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