Experimental determination of the lifetime for the 2p3d(1P0) helium doubly excited state

Two recent theoretical studies [C. Liu, Phys. Rev. A 64, 010501 (2001)]; M. Zitnik, ibid. 65, 032520 (2002)]] predict that the fluorescence lifetimes of helium doubly excited states converging to He+ N=2 should be longer than that of the He+ 2p ion state. This effect is caused by the electric field of the outer electron which, through Stark mixing, gives the inner fluorescing electron some series specific, stabilizing 2s character. We have obtained the first experimental evidence that confirms this effect by measuring the lifetime of the 2p3d(1P0) doubly excited state. This was determined to be 190+/-30 ps compared to 100 ps for the He+ 2p ion state. The measurements were performed using short pulses of synchrotron radiation to form doubly excited states and recording the arrival time of photons from fluorescence.     

Energy levels of perturbed 6pnd J = 2 Rydberg states of Pb I by multichannel quantum defect theory

Energy levels of the odd-parity 6pnd J=2 Rydberg states of atomic lead are analyzed by the multichannel quantum defect theory (MQDT) with previous experimental energy levels. The 6pnd (6≤n ≤ 63) J=2 Rydberg energy levels are calculated and optimal MQDT parameters were obtained. Using these parameters, admixture coefficients for each level are calculated to designate the level denotations. The results show that strong channel mixings exist for the levels near the 6p6d (3/2)[5/2]2° and 6p6d (3/2)[3/2]2° pertubers. The five-channel model different from that in literature is used to predict 21 energy positions of 6pnd (1/2)[3/2]2° levels and to determine the denotations of all the 6pnd J=2 Rydberg states under 59788 cm-1 for Pb I.     

Energy, fine structure, and hyperfine structure of the core-excited states 1s2s2pnp 5P (n = 2–5) and 1s2p2mp 5S (m = 2–5) for Li- ion

The relativistic energies, the oscillator strength, and the lifetimes of high-lying core-excited states 1s2s2pnp ⁵P (n=2–5) and 1s2p²mp ⁵S^o (m=2–5) of Li^- ion are calculated with the saddle-point variational method and restricted variation method. The fine structure and the hyperfine structure of the core-excited states for this system are also explored. The results are compared with other theoretical and experimental data in the literature.     

Theoretical calculation of energy levels and radiative lifetimes of Tl I

Considering the perturbation, the results of theoretical calculation of five Rydberg series energy levels 6s2ns^2S1/2 （n = 7 - 20）, 6s^2nd^2D3/2 （n = 6 - 20）, 6s^2nd^2D5/2 （n = 6 - 20）, 6s^2np^2P1/2^0 （n = 7- 20）, and 6s^2np^2P3/2^0 （n = 7-20） for Tl I are presented using the weakest bound electron potential model （WBEPM） theory. Furthermore, the radiative lifetimes of this five series are also calculated. The calculated values of energy levels and lifetimes are in good agreement with the experimental results.     

碳原子里德堡能级的计算

依据最弱受约束电子势模型及其微扰修正理论,计算了碳原子1s22s22pns 3P02,1,0 (n=3-50) 和1s22s22pnd 3F03,2 (n=3-50)里德堡系列能级和量子亏损。计算结果与已有的实验结果符合得很好。     

类Be离子（Z=8-54）内壳层激发态1s2s22p退激发过程的理论研究

采用基于全相对论框架的多组态Dirac-Fock方法,系统研究了类Be离子（Z=8-54）内壳层激发态1s2s22p的能量、辐射退激发和Auger退激发过程。详细讨论了电子关联效应对相关结构和退激发过程的影响。结果表明,来自于n=2和3壳层的电子关联效应最重要。另外,随着Z的增大,辐射退激发几率逐渐而平滑的增大,而Auger退激发几率的变化则不显著。本文计算结果与其它理论计算结果符合很好。     

类Be离子(Z=8-54)内壳层激发态1s2s~22p退激发过程的理论研究

采用基于全相对论框架的多组态Dirac-Fock方法,系统研究了类Be离子(Z=8-54)内壳层激发态1s2s22p的能量、辐射退激发和Auger退激发过程.详细讨论了电子关联效应对相关结构和退激发过程的影响.结果表明,来自于n=2和3壳层的电子关联效应最重要.另外,随着Z的增大,辐射退激发几率逐渐而平滑的增大,而Auger退激发几率的变化则不显著.本文计算结果与其它理论计算结果符合很好.     

LiⅠ等电子序列[(1s2p)3P,4d]2P0及 [(1s2s)1S,5p]2P0自电离态的计算

利用鞍点复转动及全实加关联的方法,计算了LiⅠ等电子序列[(1s2p)3P,4d]2P0及[(1s2s)1S,5p]2P0自电离态的能量和宽度.计算结果中包括相对论修正和质量极化修正.文中讨论了自电离宽度随核电荷数Z的变化关系,同时也讨论了精细结构分裂值及相对论修正随核电荷数Z的变化关系.     

Observation of the 1S0-->3P0 clock transition in 27Al+

We report, for the first time, laser spectroscopy of the 1S0-->3P0 clock transition in 27Al+. A single aluminum ion and a single beryllium ion are simultaneously confined in a linear Paul trap, coupled by their mutual Coulomb repulsion. This coupling allows the beryllium ion to sympathetically cool the aluminum ion and also enables transfer of the aluminum's electronic state to the beryllium's hyperfine state, which can be measured with high fidelity. These techniques are applied to measure the clock transition frequency nu=1,121,015,393,207,851(6) Hz. They are also used to measure the lifetime of the metastable clock state tau=20.6+/-1.4 s, the ground state 1S0 g factor gS=-0.000,792,48(14), and the excited state 3P0 g factor gP=-0.001,976,86(21), in units of the Bohr magneton.     

锂内壳高激发2smd4De,2pnd4Do系列的能量和辐射跃迁

采用鞍点变分方法计算了锂内壳高激发四重态1s2smd⁴D^e(m=3—7)和1s2pnd⁴D^o(n=3—5)的能量,利用截断变分方法得到能量改进量,并计算了相对论修正、质量极化效应,从而获得了高精度的能量计算值.同时还对该系统之间的辐射跃迁波长、振子强度和辐射跃迁率进行了计算.计算结果与实验符合得很好. 关键词： 内壳高激发态 鞍点变分方法 振子强度 精细结构     

铍原子1s22pnd 1Po1 (n=3-50)双激发态能级的计算

依据最弱受约束电子势模型及其微扰修正理论,计算了铍原子1s22pnd 1Po1 (n=3-50)双激发态系列能级和量子亏损。计算结果与已有的实验结果符合得很好。     

Radiative lifetimes of Rydberg 6pnd J=2 states of Pb I by multichannel quantum defect theory

Energy levels of the odd-parity 6pnd J=2 Rydberg states of Pb I are analysed by the multichannel quantum defect theory (MQDT) in the frame of a five-channel three-limit calculation model. With optimal MQDT parameters, channel admixture coefficients are obtained and used to calculate the theoretical lifetimes of the levels by comparing to the previously measured lifetimes. The predicted lifetimes for higher-lying Rydberg states are given and discussed. These predicted lifetimes are very different from those obtained by the four-channel two-limit model pl:eviously used, which means that introduction of the additional interacting channel is important for studying the 6pnd J=2 Rydberg states of Pb I.     

ZnNb2-xTaxO6（x=0～2.0）材料电子结构与光学性质的第一性原理计算

采用基于密度泛函理论的赝势平面波第一性原理方法,理论研究了不同计量Ta掺入ZnNb2O6材料的光电特性。通过对ZnNb2-xTaxO6(x=0~2.0)材料键结构和态密度的计算,并结合带间电子跃迁分析了材料的介电函数、折射率、反射率以及吸收系数。计算结果显示:(1)ZnNb2-xTaxO6(x=0~2.0)为间接半导体,带隙随着Ta原子的掺入呈下降趋势(x=0,Eg=3.51eV;x=2,Eg=2.916eV),随着Ta掺入量的增加导带顶逐渐移向费米面。态密度主要由O2p、Zn3d、Nb4d、Ta5d轨道组成;(2)ZnNb2-xTaxO6(x=0~2.0)价电子态呈现为非对称,具有很强的局域性,对材料整体的电子结构和键特性有重要的影响;(3)介电函数的计算表明,ZnNb2-xTaxO6(x=0~2.0)材料各向异性,最大吸收峰在3.02×105cm-1附近,消光系数在带边表现出较强的吸收特性,进一步以带结构和态密度为出发点,探讨了电子带间跃迁的光电机理。该结果为研制高性能光电器件用新型功能材料提供了理论依据。     

氩原子共振增强多光子电离谱--奇对称性里德堡态

利用脉冲放电产生氩原子亚稳态4s2[3/2]°2和4s′2[1/2]°0,在610～670nm波长范围内,利用共振增强多光子电离和飞行时间质谱技术得到氩原子(2+1)REMPI谱.光谱分析表明所有谱线来源于氩原子4s2[3/2]2和4s′2[1/2]°0两个亚稳态向16个奇对称性里德堡态双光子跃迁,并标识所有谱线.同时首次在实验上观察到一个长序列的3p54s′2[1/2]°0→3p5nd2[1/2]°1(n=8～31)双光子跃迁.在实验技术上,提供了一种研究惰性气体原予以及其它原子高里德堡态和自电离态的新方法.     

铍原子1 s 22 pnd 1 P01(n=3-50)双激发态能级的计算

依据最弱受约束电子势模型及其微扰修正理论,计算了铍原子1s22pnd1P01(n=3～50)双激发态系列能级和量子亏损.计算结果与已有的实验结果符合得很好.     

Comparative investigation of the c(2 × 2)-Si/Cu(0 1 1) and (√3 × √3)R30°-Cu2Si/Cu(1 1 1) surface alloys using DFT

The electronic structure of the c(2 × 2)-Si/Cu(0 1 1) surface alloy has been investigated and compared to the structures seen in the three phases of the (√3 × √3)R30°Cu₂Si/Cu(1 1 1) system, using LCAO-DFT. The weighted surface energy increase between the alloyed Cu(0 1 1) and Cu(1 1 1) surfaces is 126.7 meV/Si atom. This increase in energy for the (0 1 1) system when compared to the (1 1 1) system is assigned to the transition from a hexagonal to a rectangular local bonding environment for the Si ion cores, with the hexagonal environment being energetically more favorable. The Si 3s state is shown to interact covalently with the Cu 4s and 4p states whereas the Si 3p state, and to a lesser extent the Si 3d state, forms a mixture of covalent and metallic bonds with the Cu states. The Cu 4s and 4p states are shown to be altered by approximately the same amount by both the removal of Cu ion cores and the inclusion of Si ion cores during the alloying of the Cu(0 1 1) surface. However, the Cu 3d states in the surface and second layers of the alloy are shown to be more significantly altered during the alloying process by the removal of Cu ion cores from the surface layer rather than by the addition of Si ion cores. This is compared to the behavior of the Cu 3d states in the surface and second layers of the each phase of the (√3 × √3)R30°-Cu₂Si/Cu(1 1 1) alloy and consequently the loss of Cu-Cu periodicity during alloying of the Cu(0 1 1) surface is conjectured as the driving force for changes to the Cu 3d states. The accompanying changes to the Cu 4s and 4p states in both the c(2 × 2)-Si/Cu(0 1 1) and (√3 × √3)R30°-Cu₂Si/Cu(1 1 1) alloys are quantified and compared. The study concludes with a brief quantitative study of changes in the bond order of the Cu-Cu bonds during alloying of both Cu(0 1 1) and Cu(1 1 1) surfaces.     

一价铝离子能级结构的多通道量子亏损理论分析

利用多通道量子亏损理论(MQDT)对一价铝离子(AIII)的各受干扰序列:3sns ¹S₀,3snp ³P_0,1,2^O,¹P₁^O,3snd ¹D₂和3snf³F_2,3,4^O的能级结构进行理论分析。结果表明:前两个序列所受到的干扰较弱,后三个序列则受到了来自干扰态3p4s ¹P₁^O,3p^{2 1}D₂和3p3d³F_2,3,4^O的强烈干扰,而3snf ¹F₃^O序列则受到来自电离限上方干扰态的影响。利用获得的MQDT参数推算出3p3d ¹F₃^O干扰态位于电离限上方5613cm^-1处,这一结果与其他作者的预言相符合。 关键词：     

Inclusion of electric octupole contributions explains the fast radiative decays of two metastable states in Ar+

A laser probing investigation has yielded the lifetimes of the 3s(2)3p(4)(1D)3d (2)G(7/2,9/2) metastable doublet states of Ar+. The results, obtained with the CRYRING ion storage ring of Stockholm, are 3.0+/-0.4 and 2.1+/-0.1 s, respectively. Comparisons with theoretical values calculated with two independent theoretical approaches, i.e., the pseudorelativistic Hartree-Fock method and the multiconfiguration Breit-Pauli approach, have allowed us to establish the unexpected and extraordinary strong contribution of an electric octupole (E3) transition to the ground state, in addition to the M1 decay channels to the 3d ;{2,4}F states and the E2 contributions to the 4s 2P, 2D states.     

Manganese silicide single crystal and films deposited on Si(1 1 1): A comparative spectroscopic study

A comparative experimental study is presented of the electronic properties of MnSi films grown on Si(1 1 1) and of MnSi single crystals, using X-ray absorption spectroscopy (XAS), and core level and valence band photoemission spectroscopy (PES). No significant differences in the electronic structure of the two systems can be found.Absorption measurements on the Mn 2p threshold show a mixed valence ground state, where the multiplet structure is washed out by the hybridisation of the Mn 3d states with the Si sp states. These results are also confirmed by photoemission (PE) spectra from the valence band and the Mn 3s, 3p and 2p core levels.Strong attention has been paid to the effect of contamination. The occurrence of multiplet effects in the absorption spectra indicates unambiguously the localisation of the Mn 3d electrons in Mn-O bonds, which strongly influences the electronic properties of these systems.     

Saturation effects on Ba 6phi （l=0, 2） and 6pnk （｜M｜= 0, 1） autoionization spectra

Using a three-step laser saturation excitation technique, the saturation effects on the Ba 6pns （J = 1） and 6pad （J = 1, 3） autoionization spectra are observed systemically in zero field. These saturation spectra are introduced to determine the high n members of 6pnl （l = 0, 2） autoionizing series and are used to analyse the channel interactions among the autoionizing series in zero field. Furthermore, the saturation excitation technique is applied to the electric field case, in which the saturation spectra of Ba 6pnk （｜M｜= 0, 1） autoionizing Stark states are measured. Most of these saturation spectra are observed for the first time so far as we know, which indicate the mixing of the autoionizing states in the electric fields.