原子(离子)光电离过程中多级效应的理论研究

在相对论理论框架下,通过对氢及类氢离子光电离截面的理论研究,探讨了多极效应的变化规律和电偶极跃迁的适用范围.结果表明:光电离过程中的多极效应与入射光子的能量、电子离核的平均半径等密切相关.入射光子的能量对多极效应的影响在通常情况下更具普遍意义,当其能量较大时,光电离截面的理论计算必须考虑多极效应.     

相对论小分量波函数对原子光电离截面的影响

利用相对论平均自洽场理论,研究了相对论波函数的小分量对原子光电离截面的影响。原子核尺寸效应将使波函数小分量对原子光电离截面的影响减弱。由于波函数沿径向空间被压缩,电子离核的平均半径较小,波函数小分量对高离化态离子光电离截面的影响比对一般原子要强得多。波函数小分量反映了相对论效应的基本特征,从而也定性地说明了光电离过程中相对论效应的强弱。     

高离化态Au离子光电离过程的理论研究

基于多组态Dirac-Fock方法的程序包GRASP92和RATIP及在此基础上最新发展的RELPHOTO08程序, 系统地研究了高离化态金离子M壳层的光电离截面随入射光子能量、 离化度以及壳层的变化规律。结果表明: 光电离截面随光子能量的增大而单调减小; 电离nl电子时, 如果相关电子的主量子数较大, 则该电子存在与否对其光电离截面几乎没有影响; 在同一离化度下, 角量子数l可引起两种性质不同的效应, 其相互竞争可导致光电离截面随入射光子能量的复杂变化。Based on multiconfiguration Dirac Fock method and the corresponding packages GRASP92 and RATIP, as well as the newly developed RELPHOTO08, the variations of M subshell photoionization cross sections with the photon energy, ionization degree and subshells for highly charged gold ions are studied systemically. The present results show that the cross sections are decreasing monotonously with the photon energy; for the photoionization of nl electrons, if the principal quantum number of removed electron is large enough, the cross sections are essentially unchanged upon the presence or absence of outer electrons; for same ionization degree, the angular quantum number introduces two opposite effects which could exist simultaneously, and the intricate variations of cross sections with the photon energy originate from the competition between these two different effects.     

高离化态离子及其光电离过程基本特征的理论研究

在Dirac-Slater相对论理论框架下,研究了HCI（高离化态离子）的基本性质及其光电离过程的基本特征. 通常HCI的电场非常强,其电子波函数沿靠近核的径向空间被压缩,这极大地改变了相应的物质的性质,使HCI的光电离过程与一般的原子（离子）的相比较有很大的不同：原子核的尺寸效应和相对论效应变得更加重要,而多极效应对光电离截面的影响却趋于减弱.     

高离化态离子及其光电离过程基本特征的理论研究

在Dirac-Slater相对论理论框架下,研究了HCI(高离化态离子)的基本性质及其光电离过程的基本特征.通常HCI的电场非常强,其电子波函数沿靠近核的径向空间被压缩,这极大地改变了相应的物质的性质,使HCI的光电离过程与一般的原子(离子)的相比较有很大的不同:原子核的尺寸效应和相对论效应变得更加重要,而多极效应对光电离截面的影响却趋于减弱.     

Al原子K壳层光电离的理论研究

基于多组态Dirac-Fock理论方法及其相应的GRASP2K和修改后的RATIP2012程序包,计算了极化光子入射Al原子K壳层光电离截面,并利用最新发展的RPI-E计算程序研究了K壳层光电子角分布,重点讨论了辐射场的非偶极项对光电离截面和光电子角分布的影响.结果表明,在入射光子5000 e V能量范围内,辐射场的非偶极效应对光电离总截面的影响可以忽略不计.随着入射光子能量的增加,辐射场的非偶极效应对光电子角分布的影响越来越大,入射光子能量在5000 eV,一级非偶极参数γ的数值达到1.5.     

交换势对光电离截面的影响

利用相对论平均自洽场理论,研究了光电离截面在不同交换势下的差异,在对这种差异进行分析的基础上,对其变化规律做了较详细的理论说明.计算结果表明:光电离截面随交换系数的增大而增大;电子所感受到的平均核势场越小,交换势所起的作用则相对地有所增加,从而对光电离截面的影响更大.     

氮化镓材料中深能级中心光离化谱测试与分析

设计了一种可用于测试氮化镓材料深能级中心光离化截面的光谱测试方法,该方法建立在使用PID技术控制氮化镓样品中光电流变化为恒定值的基础上,结合光电流测试、霍尔效应、光强度测试等实验手段给出深能级中心光离化截面的实际值。使用该方法得到的光离化截面测试误差同光电探测器对不同入射光子的响应能力有关,光离化截面测试误差随入射光子能量增加不断增大,在入射光子能量较高的情况下,光离化截面测试误差约为8%。对氮化镓材料深能级中心光离化谱分析发现,即使在入射光子能量小于深能级同导带之间能量差2.85eV的情况下,深能级中心仍能在一定程度上吸收该能量的入射光子,表明深能级中心缺陷同周围晶格产生一定程度的耦合。     

未被俘获电子对多光子非线性Compton散射能量转换效率的影响

 应用单粒子理论和电子与光子非弹性碰撞模型，研究了未被俘获电子对多光子非线性Compton散射能量转换效率的影响。结果表明，未被俘获电子使该散射的频谱展宽随入射电子速度和与电子同时作用的光子数的增大而增大，随电子与光子非弹性碰撞成分的增大而减小，从而使能量转换效率近乎与电子入射速度正比降低。用低能电子入射，能有效地减小这种损失。     

相对论小分量波函数对原子光电离截面的影响

利用相对论平均自洽场理论,　研究了相对论波函数的小分量对原子光电离截面的影响。原子核尺寸效应将使波函数小分量对原子光电离截面的影响减弱。由于波函数沿径向空间被压缩,　电子离核的平均半径较小,　波函数小分量对高离化态离子光电离截面的影响比对一般原子要强得多。波函数小分量反映了相对论效应的基本特征,　从而也定性地说明了光电离过程中相对论效应的强弱。The effects of relativistic small radial component on atomic photoionization cross sections have been studied within relativistic average self consistent field theory. Relativistic effects are relatively unimportant for low photon energy, along with a review of high energy photoionization the relativistic effects are quite important. The effects of relativistic small radial component on photoionization process should show breakdown when the nuclear finite size effects is taken into account. The compression of wavefunction into the space near nucleus is so strong in highly charged ions that the electronic radius greatly decreases, and the effects of relativistic small radial component on photoionization cross sections turn to stronger than ordinary atoms. Since relativistic effects are extremely sensitive to the behavior of small radial component, the results are in good agreement with relativistic effects on photoionization cross section.     

What are the correct L‐subshell photoionization cross sections for quantitative X‐ray spectroscopy?

For fundamental parameter‐based, quantitative X‐ray fluorescence, X‐ray photoelectron spectroscopy or Auger electron spectroscopy, it is crucial to accurately know the photoionization cross sections (PCS). This atomic probability to absorb the exciting photon and eject a photoelectron, in general, followed by a subsequent decay resulting in the emission of a fluorescence photon or an Auger electron, strongly depends on the electron configuration and photon energy. Two contrary models for the photon energy dependence of the L‐subshell PCS, or the 2s, 2p ½ and 2p 3/2; energy levels, respectively, exist in the literature, and an experimental verification was not available until recently. In this work, the two models for calculating the PCS are discussed, and their influence on quantitative experiments is demonstrated by means of the fluorescence production cross sections for the three L shells. Depending on the excitation conditions, these fluorescence production cross sections and, thus, the derived quantitative results can differ significantly if the wrong PCS model is employed. Copyright © 2016 John Wiley & Sons, Ltd.     

Photoionization cross section of Xe+ ion in the pure 5p5 2P3/2 ground level

Coupling an ion trap with synchrotron radiation is shown here to be a powerful approach to measure photoionization cross sections on ionic species relaxed in their ground state. The photoionization efficiency curve of Xe+ ions stored in a Fourier transform ion cyclotron resonance ion trap was recorded at ELETTRA in the 20-23 eV photon energy range. Absolute cross sections were derived by comparison of the photoionization yield of Xe+ with measurements from the ASTRID merged-beam experiment. Multiconfiguration Dirac-Fock calculations were performed for the interpretation of these new data.     

Spectroscopy of He–Ne afterglow plasma

Implementation of promising control schemes for the intensity and position of X-ray-laser beams with a photon energy up to several tens of kiloelectronvolts requires knowledge of the angular dependence of cross sections for photoionization of noble gas atoms by hard photons. Estimates of quadrupole corrections to the cross section for photoionization of a Kr atom by X-ray photons with an energy of about 25 keV are reported in this paper. An analytic expression for the cross section of the process is parameterized in a compact form convenient for analyzing angular distributions with an arbitrary polarization of a photon beam.     

Inner-shell ionization of atoms by electron,positron and photon impacts

Plane wave Born approximation with Coulomb, relativistic and exchange corrections is employed to obtain L1-, L2- and L3-subshell ionization cross sections of several atoms due to electron and positron impacts for projectile energy varying from the threshold of ionization to 60 times the threshold energy. Photoionization cross sections for all the three L-subshells of the atoms are also calculated using the hydrogenic approximation for the atomic wave functions. For L3-subshell the present cross sections due to electron impact are in good agreement with a number of experimental data for different atoms over the entire energy range investigated. For L1- and L2-subshells the present calculations yield qualitative agreement with the experimental data. The agreement between the present results and the limited experimental data for positron impact is also satisfactory. The hydrogenic approximation for the L-subshell photoionization is found to be good at small photon energies but it underestimates the cross sections at large photon energies.     

Interference effects on the photoionization cross sections between two neighbouring atoms: nitrogen as an example

Interference effects on the photoionization cross sections between two neighbouring atoms are considered based on the coherent scattering of the ionized electrons by the two nuclei when their separation is less than or comparable to the de Broglie wave length of the ionized electrons. As an example, the single atomic nitrogen ionization cross section and the total cross sections of two nitrogen atoms with coherently added photoionization amplitudes are calculated from the threshold to about 60~\AA (1~\AA=0.1~nm) of the photon energy. The photoionization cross sections of atomic nitrogen are obtained by using the close-coupling R-matrix method. In the calculation 19 states are included. The ionization energy of the atomic nitrogen and the photoionization cross sections agree well with the experimental results. Based on the R-matrix results of atomic nitrogen, the interference effects between two neighbouring nitrogen atoms are obtained. It is shown that the interference effects are considerable when electrons are ionized just above the threshold, even for the separations between the two atoms are larger than two times of the bond length of N₂ molecules. Therefore, in hot and dense samples, effects caused by the coherent interference between the neighbours are expected to be observable for the total photoionization cross sections.     

Fits to new calculations of photoionization cross sections for low-Z elements

Analytical approximations to results of new calculations of partial (i.e. by subshell) photoionization cross sections of elements (2 < Z < 30, Z = 36) are presented which cover the photon energy range from near threshold to 300 keV. The computer program developed by Brysk and Zerby, which is based on the single-electron model and uses screened self-consistent field and Dirac-Slater wave function data furnished by Cromer, Waber and Liberman, was used. Sufficient multipoles were included to calculate the partial cross sections within a few per cent, on the assumed model. Results for several elements are compared with other calculations and measurements of total photoionization cross sections. The results are presented in a form most convenient for calculations of opacities of hot gases.