Rh XⅢ—Cd XVI离子4s24p3—4s4p4能级与跃迁的理论计算

用HFR（Hartree-Fock with relativistic corrections）方法对Rb V—Cd XVI离子4s²4p³和4s4p⁴组态能级结构做了全面系统的理论计算研究. 通过分析能级结构参数的HFR理论计算值与基于实验能级拟合得到的计算值之比值随着原子序数Z_c变化的规律,运用广义拟合外推方法预言了这些离子能级结构参数. 由此进一步计算了Rh XⅢ,Pd XIV,Ag XV和Cd XVI离子4s²4p³（⁴S_3/2,²P_1/2,3/2,²D_3/2,5/2）和4s4p⁴（⁴P_1/2,3/2,5/2,²P_1/2,3/2,²D_3/2,5/2,²S_1/2）组态能级以及电偶极跃迁波长与振子强度. 研究表明,对于4s²4p³组态,单组态近似可以得到较满意的结果;而对于4s4p⁴组态,只有在考虑了4s²4p²4d的组态相互作用效应时,计算结果的准确性才能明显得到提高. 同时,本文还运用全相对论grasp2K-DEV程序包计算了Rh XⅢ—Cd XVI离子组态能级. 对于Rh XⅢ离子4s²4p³（²P_1/2）,Pd XIV离子4s²4p³（⁴S_3/2,²P_1/2,3/2,²D_3/2,5/2）和4s4p⁴（²P_1/2,3/2,²D_3/2,5/2,²S_1/2）,能级均无实验值;对于Ag XV和Cd XVI离子,截至目前还没实验能级数据,没有实验能级值的所有数据均仅来自本文的计算数值. 本文计算结果与已有实验值吻合得很好.     

Theoretical Electronic Structure of Oxide BaBiO3

In this paper, we present a model simulation to understand the electronic structure of BaBiO₃. By treating two types of Bi sites with different valence configurations (6s² 6p³ 6d⁰ and 7s⁰6p³6d⁰),t he valence instability in BaBiO₃ is simulated. We shorv that an LMTO-ASA calculation can then give a semiconducting feature for this material and a good estimation of the gap, which is 1.6 eV from the present model compared with 2.0 eV from experiments. The existence of Bi³⁺ sites reduces greatly the overlapping integrals between Bi_6s-O_2p states and reduces correspondingly their band widths. The band gap appears because the antibonding bands of Bi_6s-O_2p now separate from the rest bands of Bi-O_2p.     

HYPERON DECAYS IN THE CNIRAL BAG MODEL

In terms of the chiral bag model and SD(3) Skyrme wave-functions of baruons, we investigate Δ⁺ →Pγ (SU(2)) and Σp⁺ → Pπ⁰ (SU(3) case) hyperon decays. We have found that for Δ⁺ →Pγ the Skyrme contribution is more important whereas in Σp⁺ → Pπ⁰ the quark content transition dominates.     

低速Xe~(q+)(4≤q≤20)离子与Ni表面碰撞中的光辐射

实验中测量了0.38V_(Bohr)(460 keV)高电荷态Xe~(q+)(4≤q≤20)离子轰击高纯Ni表面发射的400-510 nm光谱.实验结果包括NiⅠ原子谱线,NiⅡ离子谱线,以及入射离子中性化发射的XeⅠ,XeⅡ和XeⅢ谱线.研究了谱线XeⅡ410.419,XeⅢ430.444,XeⅡ434.200,XeⅡ486.254,NiⅠ498.245,NiⅠ501.697,NiⅠ503.502,NiⅠ505.061和NiⅠ508.293 nm的光子产额随着入射离子电荷态的变化.结果表明,入射离子中性化和溅射Ni原子发射谱线的光子产额随着入射离子电荷态的增加而增加,其趋势与入射离子势能一致.     

A Modified Approach for Calculating Dressed Quark Propagator at Finite Chemical Potential

Based on the rainbow approximation of Dyson-Schwinger equation and the assumption that the full inverse quark propagator at finite chemical potential is analytic in the neighborhood of μ = 1, it is proved that the dressed quark propagator at finite chemical potential μ can be written as G0^-1 [μ] =iγ·p↑-A（p↑-^2） ＋B（p↑-^2） with p↑-μ= （p↑-p4 ＋iμ）. From the dressed quark propagator at finite chemical potential in Munczek model the bag constant of a baryon and the scalar quark condensate are evaluated. A comparison with previous results is given.     

Dirac R-matrix calculations of photoionization cross sections of Ni XII and atomic structure data of Ni XIII

We performed R-matrix calculations for photoionization cross sections of the two ground state configuration 3s²3p⁵ (²P^o_3/2,1/2) levels and 12 excited states of Ni XII using relativistic Dirac Atomic R-matrix Codes (DARC) across the photon energy range between the ionizations thresholds of the corresponding states and well above the thresholds of the last level of the Ni XIII target ion. Generally, a good agreement is obtained between our results and the earlier theoretical photoionization cross sections. Moreover, we have used two independent fully relativistic GRASP and FAC codes to calculate fine-structure energy levels, wavelengths, oscillator strengths, transitions rates among the lowest 48 levels belonging to the configuration (3s²3p⁴, 3s3p⁵, 3p⁶, 3s²3p³3d) in Ni XIII. Additionally, radiative lifetimes of all the excited states of Ni XIII are presented. Our results of the atomic structure of Ni XIII show good agreement with other theoretical and experimental results available in the literature. A good agreement is found between our calculated lifetimes and the experimental ones. Our present results are useful for plasma diagnostic of fusion and astrophysical plasmas.     

真空紫外区Ar的高次离化光谱的研究

本文报道了波长在2000—194?真空紫外区域内Ar的高次离化光谱工作。观察到相当数量的新谱线,并归属了其中64条,还找到六个新能级,即:ArIV 3s²3p²(³P)3d²F_5/2,7/2, ArIV 3s²3p²(¹D)3d²S_1/2, ArV3s²3p3d关键词：     

Theoretical and experimental study of N(D) formation in nitrogen collisions with a metal surface

The dynamics of nitrogen collisions with metals partially covered by alkali atoms is studied both experimentally and theoretically. Our attention focuses on the formation of N⁻(¹D) metastable ions and their interaction with the surface. We present the electron energy spectra induced by slow collisions of N⁺ ions with partially cesiated Pd(111) surfaces under grazing incidence. These spectra display, as a function of Cs coverage, a sharp feature which is due to the autodetachment of N⁻(2p⁴, ¹D) to the N(2p³, ⁴S) ground state. Our calculations, performed with the coupled angular mode (CAM) method on the basis of the resonant electron exchange between the nitrogen atom in states of the 2p³ configuration and the metal surface, consistently explain how negative ions formed close to the surface can survive against electron loss to the metal during the outgoing trajectory and can later decay as free ions. In order to understand the alkali coverage dependence of the N⁻(¹D)-N(⁴S) peak intensity, the local character of the nitrogen interaction with the surface partially covered by adsorbate atoms has been taken into account.     

基于间接跃迁模型的p+-GaAsSb费米能级研究

重p型掺杂GaAsSb广泛应用于InP HBT基区材料,重掺杂影响GaAsSb材料的带隙和费米能级等重要参数,这些参数对设计高性能HBT起着关键作用。本文通过间接跃迁模型研究了p⁺-GaAsSb材料的荧光性质,以及费米能级与Sb组分的关系。由于费米能级与空穴有效质量m_h和空穴态密度n_h存在函数关系,我们通过荧光测量并计算了空穴有效质量m_h和空穴态密度n_h,研究结果表明m_h和n_h共同主导了费米能级的变化。     

Observation of fine structure in the 1s2s2p P-1s2p S transition of core-excited O V

We have measured the absolute wavelengths of the fine structure components of the 1s2s2p^{2 5}P-1s2p^{3 5}S transition in beryllium-like oxygen using the method of fast ion spectroscopy. These results represent the first measurement of fine structure in any core-excited 4-electron ion. We have also measured the lifetime of the metastable 1s2p^{3 5}S state. The structure and lifetime results are compared with recent relativistic MCHF calculations.     

Dielectrics for passivation of planar InP/InGaAs diodes

We have investigated dielectrics for passivating planar InP or InGaAs photodiodes: thermally evaporated Al₂O₃ and SiO, sputtered Si₃N₄ and SiO₂ and also SiO₂ using chemical vapour deposition. The measured bulk and field-effect properties of all dielectrics excluding sputtered SiO₂ were suitable for this application. In planar InGaAs diodes with Cd diffused or Mg implanted p⁺-region a disordered dielectric/semiconductor surface led to high reverse current densities above 1 mA/cm². In InP diodes with p⁺-diffusion and dielectrics exhibiting positive flatband voltages, e.g. Si₃N₄ and Al₂O₃, reverse current densities of 10 μA/cm² were measured probably caused by a slight inversion of the semiconductor surface. With a SiO or CVD-SiO₂ passivating layer on n-InP lowest leakage current densities (10 nA/cm²) were achieved. Very low dark-current planar photodiodes InP/InGaAsP/InGaAs have been fabricated using SiO passivation (30 nA/cm²).     

白光LED用荧光材料Sr3B2O6:Eu3+,Na+的制备及发光性能

采用高温固相法合成了可用于白光LED的Sr3 B2 O6:Eu3+,Na+荧光粉.研究了煅烧时间、稀土Eu3+掺杂量等条件对材料发光性能的影响.结果表明:适量掺人Eu3+、Na+之后,基质的晶格结构未发生变化;稀土Eu3+掺杂摩尔分数为6％,煅烧时间为3h时最佳;作为电荷补偿剂的Na+的引入,较大地提高了荧光粉发光强度...     

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     

荧光粉MPO4：Eu3+,Bi3+/Tb3+ (M=La,Gd,Y) 的结构及发光性能研究

采用高温固相法合成了一系列MPO₄：Eu³⁺,Bi³⁺ （M=La,Gd,Y）及 MPO₄：Tb³⁺ （M=La,Gd,Y）荧光粉材料,用X射线衍射（XRD）仪对样品结构进行了表征。所合成的LaPO₄和GdPO₄属单斜晶系,而YPO₄属体心立方晶系。用Diamond软件对结构进行分析并绘出了晶胞结构。对样品发光性质的研究结果表明,虽然MPO₄（M=La,Gd,Y）均属于正磷酸盐,但由于晶格结构不同,其发光性质也不同。立方晶系的YPO₄更有利于掺入其中的稀土离子的发光,Bi³⁺离子的引入能够明显改善样品的发光性能。     

The NaCrS2 cathode material. IV. Effect of vanadium substitution on its physical properties and electrochemical performance in secondary Li cells

The introduction of 0.10–0.15 eq/mol of V³⁺ into the layered structure of NaCrS₂ substantially raises its conductivity and lowers its magnetic susceptibility without changing its crystal lattice parameters or nucleating a new phase, this implying considerable changes in the electron band structure of the dichalcogenide. When used as a cathode in a Li cell the partially desodiated vanadium substituted thiochromite exhibits a considerable increase in the equilibrium potential as compared to that of the nonsubstituted compound. Chemical and X-ray analysis reveal that in single phase samples (V³⁺0.15 eq/mol) practically all the V³⁺ ions are incorporated into the disulfide slabs, replacing equivalent amounts of Cr³⁺. It is demonstrated that the partially desodiated host structure Na_0.2Cr_0.9V_0.1S₂ can reversibly intercalate up to 1 eq Li/mole. The energy density, power capability and cycle life of this layered compound make it an attractive cathode material for secondary Li cells.     

Er3+/Yb3+共掺杂铋酸盐玻璃的上转换发光和能量传递

用高温熔融法制备了Er³⁺/Yb³⁺共掺杂的45Bi₂O₃-45GeO₂-10PbO玻璃,对玻璃样品进行了光谱测试,分析了上转换发光机制和Yb³⁺→Er³⁺的能量传递效率。通过Yb³⁺离子浓度对Er³⁺离子在铋酸盐玻璃中的上转换荧光强度影响的研究,得到Er³⁺质量分数为0.5%以及Yb³⁺质量分数为2.5%时上转换发光强度最大。研究结果表明,在970nm泵浦激发下,Er³⁺/Yb³⁺共掺杂B₄₅G₄₅P₁₀玻璃在532,545,673nm处产生较强的上转换绿光和红光,是一种较为理想的上转换发光基质材料。     

Comment on “Atomic structure calculations for F-like tungsten” by S. Aggarwal [Chin. Phys B 23(2014) 093203]

Recently, S. Aggarwal [Chin. Phys. B 23 (2014) 093203] reported energy levels, radiative rates, and the lifetimes for the lowest 60 levels belonging to the 2s²2p⁵, 2s2p⁶, and 2s²2p⁴3l configurations of F-like tungsten. There is no discrepancy for his calculated energies for the levels and the radiative rates for the limited number of E1 transitions, but the reported results for the lifetimes are highly inaccurate. According to our calculations, errors in his reported lifetimes are up to 6 orders of magnitude for several levels. Here we report the correct lifetimes for future comparisons and applications, and also explain the reason for the discrepancies.     

NaGdF4:Yb3+,H03+与GdF3:Yb3+,H03+纳米材料的合成、形貌控制与发光性质

采用水热法通过调控n(F-):n(Ln3+),pH值以及n(Citrate):n(Ln)等一系列反应条件,合成了六方相的NaGdF4:Yb3,ho3+与GdF3:yb3+,Ho3+纳米上转换材料,实现了形貌的可控合成.利用X射线粉末衍射(XRD),场扫描电子显微镜(SEM)以及发光光谱等手段对产物的物相结构、形貌和荧光...     

咔唑-硫脲席夫碱荧光探针对Hg~(2+)和Ag~+的可视化识别

以3-溴代-N-丁基咔唑和4-苯基-3-氨基硫脲为原料,合成了一种新型含咔唑基的硫脲席夫碱L,使用紫外-可见光谱、荧光光谱、核磁氢谱以及质谱等对其成分结构、离子识别性能、识别模式进行了研究。结果表明:L对Hg2+和Ag+具有快速响应的可视化选择性识别。当Hg2+或Ag+加入后,L溶液的颜色由无色立刻变为黄色;同时,L溶液中加入Hg2+和Ag+后,荧光光谱有不同变化,且其他离子的存在并不干扰L对Hg2+和Ag+的选择性识别。研究还发现,L对Hg2+和Ag+的荧光识别模式不同:加入Ag+后,L与Ag+生成了配合物,发生荧光猝灭;加入Hg2+后,L先与Hg2+络合发生荧光猝灭,然后脱去Hg S。     

Eu3+激活硼酸盐基质新型红色荧光粉的制备及发光性能

采用传统高温固相反应法制备了一种新的白光LED用红色荧光粉LiLa2 O2 BO3:Eu3+,并对其晶体结构及发光性能进行了系统研究.XRD分析证实Lila2BO3晶体能够稳定存在,并利用Le Bail模型计算得到其晶胞参数.荧光光谱证实:Eu3+离子在LiLa2O2BO3晶体中占据非反演对称中心格位,该系列荧光粉在紫...