Nb XIII离子3d94s2, 3d94s4p, 3d94p2 组态能级结构与跃迁的理论研究

用准相对论Hartree-Fock方法对Nb XIII离子二电子激发组态3d⁹4s², 3d⁹4s4p, 3d⁹4p² 的能级结构做了全面系统的理论计算研究.在对已有研究结果分析的基础上, 运用最小二乘方法对径向积分参数进行了优化计算, 得到了与这些组态有关的电偶极允许跃迁的谱线波长和跃迁概率.计算结果与最新的实验值做了对比分析, 表明本文计算结果是准确的. 研究发现, 波长40.92 nm的谱线, 属于3d⁹4s(¹D)4p²F_7/2–3d⁹ (²D)4s^{2 2}D_5/2 的跃迁谱线, 而不属于3d⁹4s (¹D)4p⁴D_7/2–3d⁹(²D)4s^{2 2}D_5/2 的跃迁谱线, 即上谱项能级为²F_7/2, 而不是⁴D_7/2. 关键词： Nb XIII离子 二电子激发组态 谱线波长 跃迁概率     

Dielectronic recombination of Co-like tantalum

Ab initio calculation of the total dielectronic recombination (DR) rate coefficient from the ground state of Co-like tantalum is performed using the relativistic distorted-wave approximation with configuration interaction. The contributions to the total DR rate coefficients are explicitly calculated from the complexes of Ni-like tantalum: 3s²3p⁶3d_3/2³ 3d_5/2⁶ n'l', 3s²3p⁵3d¹⁰n'l', 3s3p⁶3d¹⁰n'l', 3s²3p⁶3d⁸4ln'l', 3s²3p⁵3d⁹4ln'l' and 3s3p⁶3d⁹4ln'l' with n' ≤ 25, and 3s²3p⁶3d⁸5ln'l' with n' ≤ 9. The l' and n' dependences of partial DR rate coefficients are investigated. The contributions from higher n'complexes are evaluated by a level-by-level extrapolation method. The total DR rate coefficients mainly come from the complex series 3s²3p⁶3d⁸4ln'l', 3s²3p⁵3d⁹4ln'l' and are fitted to an empirical formula with high accuracy. Comparison of the present results with those of other works shows that the previously published data underestimate significantly the DR rates of Co-like tantalum.     

双爆炸膜内壳层光电离X射线激光实验研究

报道了Pd-NaF,Pd-Cu,Ag-NaF和Ag-Cu耦合双爆炸膜内壳层光电离X射线激光的实验方法和一些实验结果。结果表明,在本实验条件下,激光加热NaF或Cu靶产生的1keV区的光子,可以增强Pd或Ag等离子体中类-Cu离子的3d¹⁰4p-3d⁹4s²软X射线发射的强度,但不足以形成X射线激光的输出。 关键词：     

铈掺杂氧化铝薄膜的蓝紫色发光特性

应用中频反应磁控溅射技术制备了Al₂O₃:Ce³⁺的非晶薄膜.X射线光电子谱(XPS)检测显示薄膜中有Ce³⁺生成.这些薄膜的光致发光峰是在374nm附近,它来自于Ce³⁺离子的5d¹激发态向基态4f¹的两个劈裂能级的跃迁.发光强度强烈地依赖于薄膜的掺杂浓度,但发光峰位置不随掺杂浓度而变化.Ce³⁺含量和薄膜的化学成分是通过X射线散 关键词： 光致发光 2O₃')" href="#">Al₂O₃ 薄膜 稀土元素     

CuⅩⅧ离子谱线波长和跃迁概率的理论计算

用多组态HFR方法对CuⅩⅧ离子n=3complex组态能级结构进行了综合的分析与计算.在已 有实验工作的基础上，运用参数拟合方法获得了能级结构参数的最佳计算值，由这些参数值 预测计算了CuⅩⅧ离子n=3complex组态能级以及3s²—3s3p,3s3p—3p ²,3p²—3p3d,3s3d—3p3d,3p3d—3d²组态能级跃迁的谱线波 长，振子强度和跃迁概率. 关键词： CuⅩⅧ离子 原子能级 跃迁谱线波长 振子强度和跃迁概率     

软X射线辐射加热金盘靶的X射线再发射

用两台时间关联的软X射线能谱仪观测软X射线辐射((2—6)×10¹²W·cm^-2)加热金盘靶的X射线再发射-从再发射X射线的时间能谱可看出能谱被“软”化-根据加热脉冲时间修正烧蚀热波的稳态自相似解,分析X射线再发射的时间演变过程- 关键词：     

类氢O、N离子入射Al表面俘获电子布居几率的理论与实验研究

利用“二态矢量模型”详细研究了高电荷态O⁷⁺,N⁶⁺离子入射Al表面时中间里德伯态的形成过程,给出了电子被俘获至不同量子数(n A=2-7)的几率,以及电子俘获至里德伯态最可能的离子-表面距离.计算结果表明,较大的主量子数nA对应较小的里德伯态几率,因此O⁷⁺,N⁶⁺离子入射Al表面时辐射的X射线主要来源于较小的n A至基态的退激.为了验证计算结果,测量了O⁷⁺,N⁶⁺离子入射Al表面的X射线发射谱,并运用FAC程序计算了不同高里德伯态退激到基态的跃迁能(np–1s).实验测量到O,N的K-X射线峰,其特征峰的中心值接近主量子数n=2至n=1的跃迁能,说明发射的X射线主要来源于2p–1s的跃迁,与“二态矢量模型”理论计算的几率一致.     

YBa2Cu3O7超导体中空穴状态的X射线光电子能谱研究

对正交单相YBa₂Cu₃O₇样品进行了X射线光电子能谱(XPS)测量。明显观察到Cu的类高价状态。讨论了Cu_2p和O_1s的XPS中各峰对应的电子状态,认为由于过量的O而引入的额外空穴产生在O_2p轨道上。Cu的类高价状态包含Cu3d⁹L和Cu3d¹⁰L²两种状态的组合。 关键词：     

电子相关对Xe10+离子4d8—4d75p跃迁系跃迁概率的影响

应用多组态Dirac-Fock(MCDF)方法,对Xe¹⁰⁺离子进行了理论计算,获得了跃迁波长和概率等数据.通过逐步引入4dⁿ—5pⁿ(n=1, 2, 3)电子相关的相互作用组态,重点研究了电子相关效应对4d⁸—4d⁷5p跃迁系跃迁概率的影响.结果显示电子相关效应显著,表明了欲得到精确的4d⁸—4d⁷5p的振子强度(跃迁概率)数据,理论计算中至少要包括到4d²—5p²的电子相关组态的影响.与实验测得的跃迁波长比较发现,理论结果与之有着较好的一致性;同时理论跃迁概率在两种规范下的结果符合得相当精确,显示了计算结果的可靠性. 关键词： 多组态Dirac-Fock(MCDF)方法 电子相关 跃迁概率     

多壁碳纳米管束储氢机理的X射线吸收谱研究

采用X射线吸收精细结构光谱探索性地研究了多壁碳纳米管束.在多壁碳纳米管束不同入射角的X射线吸收精细结构光谱中，观察到C—H σ^*共振峰强度随入射角的变化而发生变化.在常温常压下出现C—H键可能与多壁碳纳米管束中存在缺陷有关，缺陷数量越大C—H σ^*共振峰的强度越大.光谱中C—C π^*和C—C σ^*共振峰强度的变化趋势都不同于C—H σ^*共振峰，这有力地证明了在常温常压条件下氢原子是吸附在多壁碳纳米 关键词： X射线吸收精细结构光谱 碳纳米管 储氢 化学吸附     

Resonant inelastic x‐ray scattering from highly correlated dysprosium compounds

Dy₂O₃ and Dy metal's resonant inelastic x‐ray scattering (RIXS) spectra were measured in the Beijing Synchrotron Radiation Facility. As a bulk sensitive probe and two‐photon process, RIXS provides more information on the electronic structure of matter. In this full RIXS experiment, the 2p⁶4fⁿ→ 2p⁵4fⁿ5d¹ (2p⁵4f^{n + 1}5d⁰) → 2p⁶3d⁹4fⁿ5d¹ (2p⁶3d⁹4f^{n + 1}5d⁰) channel of two samples (Dy₂O₃ and Dy metal) was studied. Further comparison shows that there are many differences in the RIXS spectra. Dy metal has only a single resonance and its 5d band is broader than that of Dy₂O₃. In the resonant regime, it has a lower final state energy, whereas in the non‐resonant regime it exceeds Dy₂O₃. This causes a broader bandwidth of the main final state B and a narrower bandwidth in the resonant and non‐resonant regime. The pre‐edge structure in Dy L₃ absorption spectra was also resolved using RIXS, which cannot be seen in conventional XAS owing to 2p core hole lifetime broadening. Copyright © 2005 John Wiley & Sons, Ltd.     

Resonant electron impact excitation of highly charged Fe ions studied with a compact electron beam ion trap

We present extreme ultraviolet spectra of 3s3p–3s3d transitions in Fe¹⁴⁺ observed with a compact electron beam ion trap. The contributions of indirect excitation via a metastable state and resonant excitation are studied by observing the electron energy dependence of the spectra for the energy range of 60–210 eV. The results indicate that the 3s3d ¹D₂ level is directly excited from the 3s² ground state whereas the 3s3d ³D₃ level has a large contribution of the indirect excitation via the 3s3p ³P₂ metastable state. Comparisons with the theoretical excitation cross sections including MNn resonant excitations show good qualitative agreement with the experimental results for the electron energy dependent features.     

Radiative transitions in the system of autoionizing levels of cesium atoms excited by electron impact

We study the energy dependences of electron excitation cross sections of the autoionizing levels (5p ⁵6s ²)² P _3/2 and (5p ⁵5d(³ P)6s)² P _3/2, as well as the autoionization cross sections of cesium atoms in the impact energy range from the excitation threshold to 600 eV. It is established that an increase in the excitation cross section of the ² P _3/2 levels (to 60% of the maximum value) and the deep minimum in the autoionization cross section observed in the energy region of 17–27 eV are caused by the predominance of the radiative decay channel for autoionizing levels with excitation thresholds above 17 eV. The high efficiency of the process is mainly related to the resonance excitation of these levels in the near-threshold energy region.     

Soft X‐ray absorption spectroscopy and resonant inelastic X‐ray scattering spectroscopy below 100 eV: probing first‐row transition‐metal M‐edges in chemical complexes

X‐ray absorption and scattering spectroscopies involving the 3d transition‐metal K‐ and L‐edges have a long history in studying inorganic and bioinorganic molecules. However, there have been very few studies using the M‐edges, which are below 100 eV. Synchrotron‐based X‐ray sources can have higher energy resolution at M‐edges. M‐edge X‐ray absorption spectroscopy (XAS) and resonant inelastic X‐ray scattering (RIXS) could therefore provide complementary information to K‐ and L‐edge spectroscopies. In this study, M_2,3‐edge XAS on several Co, Ni and Cu complexes are measured and their spectral information, such as chemical shifts and covalency effects, are analyzed and discussed. In addition, M_2,3‐edge RIXS on NiO, NiF₂ and two other covalent complexes have been performed and different d–d transition patterns have been observed. Although still preliminary, this work on 3d metal complexes demonstrates the potential to use M‐edge XAS and RIXS on more complicated 3d metal complexes in the future. The potential for using high‐sensitivity and high‐resolution superconducting tunnel junction X‐ray detectors below 100 eV is also illustrated and discussed.     

Resonant photoemission at the 3p-core threshold from quasiatomic Ni in nickel-phthalocyanine

In nickel-phthalocyanine a resonant enhancement at the 3p?Ni photo-absorption maximum ($\text{hv ? 68.5 eV}$) of a peak approximately 6 eV below the maximum of the Ni 3d derived states is observed in photoemission experiments with variable excitation energy (synchrotron radiation). Our observation of this resonance, explained by configuration interaction of Ni 3p→3d and 3d-continuum transitions, gives direct evidence for the atomic nature of the 6 eV resonance structure in photoemission from bulk Ni.     

Multiconfiguration Hartree-Fock calculations in Cr5+, Mn6+ and Fe7+

The multiconfiguration Hartree-Fock (MCHF) method is used to calculate the excitation energies and oscillator strengths, of both the length (f _L) and velocity (f _V) forms, for 1s²2s²2p⁶3s²3p⁶3d² D→1s²2s²2p⁶3s²3p⁵3d^{2 2} P ⁰,² D ⁰,² F ⁰ transitions in Cr⁵⁺, Mn⁶⁺ and Fe⁷⁺ ions of the potassium isoelectronic sequence. Comparison is made with our earlier relevant results obtained by employing the configuration interaction (CI) method which is closely related to the MCHF method. Our present investigation demonstrates that the MCHF method is more accurate than the CI method in all ions of present consideration.     

Ba原子6pnd(J=1, 3)自电离光谱的实验研究

采用三台可调谐激光实施孤立实激发,分三步将处于基态的Ba原子激发到6p_1/2nd(J=1,3)和6p_3/2nd(J=1,3)自电离态上,获得了分别从6snd¹D₂(n=7—15)和6snd³D₂(n=7—12) 激发而得到的6p_1/2nd(J=1,3)和6p_3/2nd (J=1,3)自电离光谱,重点对主量子数n较低的自电离态进行了实验研究. 通过光谱的线形拟合得到了上述能级的位置和宽度等数据,进而获得了量子亏损和约化宽度等信息. 通过对不同系列的自电离光谱的分析和比较,详细讨论了这些自电离态的光谱特征及其复杂光谱结构的成因. 关键词： 孤立实激发 组态相互作用 自电离态     

Spectator and participator processes in the resonant photon-in and photon-out spectra at the Ce L3 edge of CeO2

We study both theoretically and experimentally the photon-in and photon-out spectra of CeO₂, which are caused by the Ce 2p to Ce 5d excitation followed by the three different de-excitation channels: (i) Ce 3d to Ce 2p (denoted by 3d-RXES), (ii) O 2p to Ce 2p (v-RXES), and (iii) Ce 5d to Ce 2p (RIXS). In 3d- and v-RXES, the 5d electron plays a role of a spectator, but in RIXS it is a participator. By extending our single impurity Anderson model (SIAM), which was used recently for our calculations of v- and 3d-RXES spectra of CeO₂, we study the polarization dependence in the spectator and participator spectra, and we perform more detailed calculations for 3d- and v-RXES spectral features, as well as new calculations for the RIXS spectrum with charge transfer excitations. The polarization dependence is different for the spectator and participator spectra; we have no polarization correlation between the incident and emitted photons for the spectator spectra but a strong polarization correlation for the participator spectrum. The theoretical calculations predict that the charge transfer excitations in RIXS occur in the transfer-energy range overlapped with v-RXES, but the RIXS and v-RXES spectra can be discriminated by taking advantage of the different polarization dependence. The overlapped RIXS and v-RXES spectra are observed successfully by our experiments and well reproduced by our SIAM calculations.     

高离化态类镍离子电子碰撞激发过程的相对论扭曲波理论研究

利用相对论扭曲波方法和新发展的研究电子碰撞激发过程的计算程序REIE06,系统计算了电子碰撞激发高离化态类镍Gd³⁶⁺和Rn⁵⁸⁺—U⁶⁴⁺(Z=86—92)离子从基态到4l(l=s,p,d,f)次壳层精细结构能级的碰撞强度和截面.研究了随等电子系列变化时,从基态到与X射线激光有关的3d⁹4p和3d⁹4d激发态能级的电子碰撞激发截面随Z的变化,讨论了强的组态相互作用对高离化态类镍离子截面的影响.通过对Gd³⁶⁺离子涉及X射线激光跃迁的相关能级电子碰撞激发速率系数的计算,分析了等离子体中电子温度对碰撞过程的影响.同时,目前部分计算结果与以往的理论结果进行了比较,得到了很好的一致性. 关键词： 电子碰撞激发 相对论扭曲波方法 高离化态类镍离子