C~+离子内壳激发共振态1s2s(~3S)2p~3的Auger能量和Auger分支率(英文)

利用精确的鞍点变分波函数和鞍点复数转动方法,计算了C⁺离子五电子原子系统内壳激发共振态1s2s（³S）2p^32,4P°,^2,4D°的俄歇能量和俄歇分支率,考察了俄歇跃迁的收敛性,对300 keV C⁺离子和CH₄气体碰撞实验产生的高分辨率俄歇电子谱进行了标定,并指出这些类硼C⁺离子的内壳激发共振态对253～273 eV范围的实验谱线有重要贡献.本文计算结果与实验数据符合得很好.     

类铍离子内壳激发态1s2p3 3P0、3D0及2s2p3 3D0 的俄歇宽度和俄歇分支率

采用鞍点变分方法和鞍点复数转动方法并考虑相对论修正和质量极化效应,计算了类铍离子内壳激发态1s2p3 3P0、3D0和内壳双激发态2s2p3 3D0的俄歇宽度、俄歇分支率和俄歇电子能量.同时还对1s22p2 3Pe态到1s2p3 3P0、3D0态(Z=4~10)的振子强度和辐射跃迁率进行了计算,计算结果与其他理论结果以及实验数据符合得很好.     

类Li硼离子内壳层三重激发态2s2p~2的结构和俄歇过程

采用基于全相对论框架的多组态Dirac-Fock方法,研究了类Li硼离子内壳层三重激发态2s2p~2的结构和俄歇退激发过程.为了充分考虑电子关联效应,将活动空间扩展到n=8壳层.详细讨论了电子关联效应对类Li硼离子内壳层三重激发态2s2p~2结构和俄歇退激发过程的影响.结果表明,在对类Li硼离子内壳层三重激发态2s2p~2进行理论研究时,有必要考虑来自n=8壳层的电子关联效应.本文模拟的类Li硼离子内壳层三重激发态2s2p~2的俄歇电子谱与实验符合好.     

类Li硼离子内壳层三重激发态2s2p2的结构和俄歇过程

采用基于全相对论框架的多组态Dirac-Fock方法,研究了类Li硼离子内壳层三重激发态2s2p2的结构和俄歇退激发过程。为了充分考虑电子关联效应,将活动空间扩展到n=8壳层。详细讨论了电子关联效应对类Li硼离子内壳层三重激发态2s2p2结构和俄歇退激发过程的影响。结果表明,在对类Li硼离子内壳层三重激发态2s2p2进行理论研究时,有必要考虑来自n=8壳层的电子关联效应。本文模拟的类Li硼离子内壳层三重激发态2s2p2的俄歇电子谱与实验符合好。     

类铍离子内壳激发态1s2p33Po的俄歇宽度、俄歇分支率和辐射跃迁率计算

采用鞍点变分方法和鞍点复数转动方法,并考虑相对论修正和质量极化效应,计算了类铍内壳激发态1s2p33Po的俄歇宽度、俄歇电子能量和俄歇分支率.同时还对1s2p33Po态到1s22p3p3Pe态(Z=4～10)的振子强度和辐射跃迁率进行了计算.计算结果和其他理论结果和实验数据符合的很好.     

类铍离子内壳激发态1s2p^33P^o的俄歇宽度、俄歇分支率和辐射跃迁率计算

采用鞍点变分方法和鞍点复数转动方法，井考虑相对论修正和质量极化效应，计算了类铍内壳激发态1s2p^33P^o的俄歇宽度、俄歇电子能量和俄歇分支率．同时还对1s2p^33P^o态到1s^22p3P^3P^e态（Z=4～10）的振子强度和辐射跃迁率进行了计算，计算结果和其他理论结果和实验数据符合的很好。     

类锂离子内壳激发态的能量、俄歇宽度和俄歇分支率（英文）

采用鞍点变分方法和鞍点复数转动方法并考虑相对论修正和质量极化效应,计算了类锂离子内壳激发态的能量、俄歇宽度、俄歇分支率和俄歇电子能量.进一步采用截断变分方法饱和空间波函数.计算结果与其他理论结果以及实验数据符合得很好.     

类硼S离子K壳层激发共振态的辐射和俄歇跃迁

采用多组态鞍点变分方法计算了类硼S离子K壳层激发共振态1s2s~22p~2, 1s2s2p~3, 1s2p~(4 2,4)L(L=S, P,D)的非相对论能量和波函数,利用截断变分方法饱和波函数空间,改进体系的非相对论能量.利用微扰理论计算了相对论修正和质量极化效应,利用屏蔽的类氢公式计算了QED (quantum electrodynamics)效应和高阶相对论修正.进一步,考虑闭通道和开通道相互作用,计算了由俄歇共振效应引起的能级移动,从而得到了共振态的精确相对论能级.利用优化的波函数,计算了类硼S离子K壳层激发共振态的电偶极辐射跃迁的线强度、振子强度、跃迁率和跃迁波长.计算的振子强度和辐射跃迁率均给出了长度规范、速度规范、加速度规范的结果.三种规范结果的一致性表明了本文计算的波函数是足够精确的.利用鞍点复数转动方法计算了类硼S离子K壳层激发共振态的俄歇跃迁率、俄歇分支率和俄歇电子能量.本文的计算结果与其他文献数据符合较好.     

洞态氩离子的退激发及末电离态离子分布的理论研究

在描述洞原子(或离子)退激发过程只考虑单俄歇跃迁和辐射跃迁的辐射-单俄歇级联退激发模型的基础上,进一步考虑了双俄歇跃迁的贡献,发展了辐射-单俄歇-双俄歇级联退激发模型.据此模型研究了Ar⁺(1s^-1)(1s洞态氩离子)和Ar⁺(2s^-1)(2s洞态氩离子)的退激发过程及末电离态离子的分布,获得了与实验相符的结果. 关键词： 辐射-单俄歇级联退激发模型 双俄歇跃迁 辐射-单俄歇-双俄歇级联退激发模型 洞离子退激发     

核衰变产生的X射线和俄歇电子数据计算

核衰变过程中,内转换电子发射和电子俘获能在原子电子壳层内留下空穴.其他原子电子壳层的电子将填补这些空穴,其原子电子位置将重排,并发射X射线和俄歇电子.X射线和俄歇电子的能量由原子电子结合能计算得到,X射线和俄歇电子的强度分别由内转换电子发射和电子俘获在原子电子壳层内留下的空穴数,X射线荧光产额,和空穴转移系数计算得到.本文简要介绍核衰变产生的X射线和俄歇电子数据的计算方法、计算程序与工作流程,并以核衰变为例说明其具体应用和简要讨论与总结.     

Disorder broadening of alloy Auger spectra

Auger spectroscopy promises the means to separate initial and final state contributions to the disorder broadening of core XPS spectra in disordered alloys. Auger disorder broadening, deduced from recent ab initio results, is predicted to be greater than XPS disorder broadening for Cu₅₀Pd₅₀ and Ag₅₀Pd₅₀ alloys. Simulations are used to assess whether this effect is observable experimentally despite the greater lifetime broadening of Auger spectra. A number of cases where narrow core–core–core Auger transitions should allow clear experimental identification of this effect are identified. The prospects for determining environment-resolved Auger spectra using APECS have been investigated.     

Ne原子的1s光电离及其Auger衰变过程的理论研究

利用基于多组态Dirac-Fock理论方法的研究原子结构和性质的程序GRASP92和RATIP以及最新发展的研究光电离和辐射复合过程的程序RERR06,研究了光子能量为947.9 eV时Ne原子的1s光电子谱及其相应的Auger衰变过程.所得结果与其他的理论结果和实验结果符合得很好.通过分析光电离伴随态Ne⁺1s^-12p^-1（^1,3Ｐ）3p的Auger衰变过程可知：3p旁观的Auger跃迁是主要的衰变机制,Ne⁺1s^-12p^-1（¹Ｐ）3p的Auger强度整体上大于Ne⁺1s^-12p^-1（³Ｐ）3p的Auger强度.同时,也预言了光电离伴随态Ne⁺1s^-12p^-1（^1,3Ｐ）3p产生的Ne⁺,Ne²⁺和Ne³⁺末电离态离子的相对丰度分别为0.02,0.58和0.41. 关键词： 光电离 Auger衰变 多组态Dirac-Fock方法     

Auger photoelectron coincidence spectroscopy

Auger photoelectron coincidence spectroscopy (APECS) is a technique that provides us with unique information and a chance to gain insight into the significance of processes in the Auger spectra of atoms in solids. Hence it is a great aid in our understanding of the Auger process in atoms where electron correlations are strong. Despite the first demonstration of the technique more than 20 years ago, there are still very few working experiments. The reasons why, and the ways forward are discussed.     

Auger decay rates of antiprotonic helium

Auger decay rates of the metastable antiprotonic helium ^3,4He e are calculated. The variational method and solution of coupled differential equations are combined to determine the initial metastable state wave function. Besides metastable states, the calculation reveals specific short-lived states of the antiprotonic helium with an essentially different structure of the wave function. An effect of mixture of the wave functions is taken into account to calculate the decay rate for a few metastable states, which are close in energy to the short-lived ones. This revised version was published online in August 2006 with corrections to the Cover Date.     

Investigation of Auger recombination in Ge and Si nanocrystals embedded in SiO2 matrix

We study theoretically the optical properties of embedded Ge and Si nanocrystals (NCs) in wide band-gap matrix and compared the obtained results for both NCs embedded in SiO₂ matrix. We calculate the ground and excited electron and hole levels in both Ge and Si nanocrystals (quantum dots) in a multiband effective mass approximation. We use the envelope function approximation taking into account the elliptic symmetry of the bottom of the conduction band and the complex structure of the top of the valence band in both Si and Ge (NCs). The Auger recombination (AR) in both nanocrystals is thoroughly investigated. The excited electron (EE), excited hole (EH) and biexciton AR types are considered. The Auger recombination (AR) lifetime in both NCs has been estimated and compared.     

Auger process in CdS/ZnS core-shell quantum dots

Auger processes are investigated for CdS/ZnS core-shell quantum dots. Auger recombination (AR) lifetime and electron relaxation inside the core are computed. Using the effective-mass theory and by solving a three-dimension Schrödinger equation we predict the dependence of Auger relaxation on size of core-shell nanocrystals. We considered in this work different AR processes: the excited electron (EE), excited hole (EH), multiexciton AR type. Likewise, Auger multiexciton recombination rates are predicted for biexciton. Our results show that biexciton AR type is more efficient than the other AR process (excited electron (EE) and excited hole (EH)). We also found that electron Auger relaxation P→S is very efficient in core-shell nanostructures.     

Energies and Auger widths of the triply excited states of He-

Some triply excited states of He^- ion are studied using the saddle-point complex-rotation method. The energies and Auger widths of these resonances are calculated with the relativistic corrections and mass polarization taken into account. The total Auger width is obtained by coupling the important open channels and summing over the other channels. These results are in good agreement with other theoretical and experimental data in the literature.     

X-ray excited KLL and KLM Auger spectra of manganese

High resolution (ΔE < 1.5 eV) manganese KLL and KLM Auger spectra, obtained by photoexcitation, are persented, and the transition energies and intensities are compared with the experimental and theoretical data published earlier. Significant disagreement can be observed between the respective experimental intensity values in the cases of the most intense lines, and large differences are found between the experimental and the available theoretical transition energy values of the main peaks. The disagreements between the experimental data can be explained rather by the different chemical states of the manganese samples investigated in the separate experiments than by the different mechanisms of the Auger processes.     

Variational treatment of continuum orbitals for Auger electrons emitted from neon

A variational method is applied to obtain the wave function of the continuum Auger electron emitted from an ionized neon atom. The trial function is taken to depend on several adjustable parameters, and the wave function of the electrons in different orbitals, such that all possible virtual states of the quantum mechanical system composed of the Auger electron and the ion are represented. The continuum wave function is improved iteratively by increasing the number of terms.Auger transition rates are then calculated applying the angular momentum average scheme, and are compared with other theoretical and experimental results. Agreement with the latest experiment is achieved.