Multiply Charged Anions,Maximum Charge Acceptance,and Higher Electron Affinities of Molecules,Superatoms,and Clusters

The addition of electrons to form gas-phase multiply charged anions(MCAs)normally requires sophisticated experiments or calculations.In this work,the factors stabilizing the MCAs,the maximum electron uptake of gas-phase molecules,X,and the electronic stability of MCAs X^(Q-),are discussed.The drawbacks encountered when applying computational and/or conceptual density functional theory(DFT)to MCAs are highlighted.We develop and test a different model based on the valence-state concept.As in DFT,the electronic energy,E(N,v_(ex)),is a continuous function of the average electron number,N,and the external potential,v_(ex),of the nuclei.The valence-state-parabola is a second-order polynomial that allows extending E(N,v_(ex))to dianions and higher MCAs.The model expresses the maximum electron acceptance,Q_(max),and the higher electron affinities,A_Q,as simple functions of the firstelectron affinity,A_1,and the ionization energy,I,of the"ancestor"system.Thus,the maximum electron acceptance is Q_(max,calc)=1+12A_1/7(I-A_1).The ground-state parabola model of the conceptual DFT yields approximately half of this value,and it is termed Q_(max,GS)=?+A_1/(I-A_1).A large variety of molecules are evaluated including fullerenes,metal clusters,super-pnictogens,super-halogens(OF_3),super-alkali species(OLi_3),and neutral or charged transition-metal complexes,AB_(m )L_n^(0/+/-).The calculated second electron affinity A_(2,calc)=A_1-(7/12)(I-A_1)is linearly correlated to the literature references A_(2,lit) with a correlation coefficient R=0.998.A_2 or A_3 values are predicted for further 24 species.The appearance sizes,n_(ap)^(3-),of triply charged anionic clusters and fullerenes are calculated in agreement with the literature.

Electron flux distributions in photodetachment of HF^- near an interface: Theoretical imaging method study

The electron flux distributions in the photodetachment of HF- near an interface are studied using a two-center model and the theoretical imaging method. An analytical expression for electron flux distributions is derived, which displays oscillations on an observation plane similar to the recent results published by Wang but in the presence of a static electric field. We also discuss the expressions for soft and hard wall cases in detail. A comparison is made with the previous work. The expression is a more general result, and we can deduce from it the electron flux distributions for the photodetachment of H2 near an interface. Finally, we show that the expression reveals similar results as those in [Chin. Phys. B 19 020306 （2010）] when the wall effect is neglected.

Electric flux distribution in photodetachment of heteronuclear diatomic molecular negative ion

The photodetachment of a hetero-nuclear diatomic molecular negative ion is studied by using a two-centre model. An analytic formula is presented for the electron flux distribution of a heteronuclear diatomic molecular negative ion. Taking HF- as an example, we calculated the electron flux distributions of this ion for various detached electron energies. The results show that the electron flux distributions exhibit oscillatory structures, which are caused by the interference effect between the two nuclei. Besides, the laser light polarization also has a great influence on the electron flux distribution. The oscillation amplitude is the largest when the laser polarization is parallel to the z-axis; when the laser polarization is perpendicular to the z-axis, the oscillation almost vanishes. This study provides a new understanding of the photodetachment of a heteronuclear diatomic molecular negative ion.

High accuracy calculation of the hydrogen negative ion in strong magnetic fields

Using a full configuration-interaction method with Hylleraas-Gaussian basis function, this paper investigates the 1^10^＋, 1^1（-1）^＋ and 1^1（-2）6＋ states of the hydrogen negative ion in strong magnetic fields. The total energies, electron detachment energies and derivatives of the total energy with respect to the magnetic field are presented as functions of magnetic field over a wide range of field strengths. Compared with the available theoretical data, the accuracy for the energies is enhanced significantly. The field regimes 3 〈 γ 〈 4 and 0.02 〈 γ 〈 0.05, in which the 1^1（-1）6＋ and 1^1（-2）^＋ states start to become bound, respectively, are also determined based on the calculated electron detachment energies.

Laser induced photo-detachment of O2 in DC discharge

Determination of the negative ion number density of O2 and O in a DC discharge of oxygen plasma was made employing Langmuir probe in conjunction with eclipse laser photo- detachment technique. The temporal evolution of the extra electrons resulting from the photo- detachment of O2- and O- were used to evaluate the negative ion number density. The ratio of O2 number density to O varied from 0.03 to 0.22. Number density of both O~ and O increased with increasing power and decreased as the pressure was increased. Electron number density was evaluated from the electron energy distribution function （EEDF） using the I-V recorded characteristic curves. Electron temperature between 2 and 2.7 eV were obtained. Influence of the 02（al△g） metastable state is discussed.

Above-threshold detachment of negative ions by circularly polarized few-cycle laser fields

In accordance with nonperturbative quantum scattering theory, we investigate photoelectron angular distri- butions （PADs） from above-threshold detachment （ATD） of negative ions irradiated by circularly polarized few-cycle laser fields. Electrons ejected on the polarization plane demonstrate distinct anisotropies in an- gular distributions which distinctly vary with the carrier-envelope （CE） phase. The anisotropy is caused by interference between transition channels; it also depends strongly on laser frequency, pulse duration, and kinetic energy of photoelectrons. Optimal emission of photoelectrons, which varies with CE phase, makes it possible to control photoelectron motion.

电子和负离子的反射运动对碰撞电负性磁鞘的影响

研究了鞘层中电子和负离子的反射运动对碰撞电负性磁鞘玻姆判据和鞘层结构的影响.通过理论推导得到了考虑鞘层中电子和负离子的反射运动时鞘层玻姆判据表达式,并通过数值模拟得到了电子和负离子采用玻尔兹曼模型和反射运动模型时离子马赫数的下限随参数的变化曲线以及鞘层中带电粒子密度的分布曲线.结果表明,电子和负离子的反射运动模型和玻尔兹曼模型离子马赫数的上限完全相同,下限表达式不同,反射运动模型中下限还与基板电势有关,且随着基板电势值的增加而增大,达到与玻尔兹曼分布中相同值后保持不变,随着鞘边负离子浓度和温度的不同达到最大值的速度不同;离子马赫数的下限在玻尔兹曼和反射运动模型中都随鞘边负离子浓度的增加和温度的降低而减小,只是在反射运动模型中的最大值要小;两种模型中离子马赫数的下限都随鞘边电场的增加而增加,但在玻尔兹曼模型中增加得更快最终值更大;两种模型离子马赫数的下限都随碰撞参数或磁场角度的增加而降低,但在玻尔兹曼模型中降低更快,随着碰撞参数或者磁场角度的增加两种模型中离子马赫数的下限趋于一致;当基板电势值较小时,电子和负离子的反射运动对鞘层结构影响较大,当基板电势值较大时电子和负离子反射运动对鞘层中带电粒子密度分布的影响很小.

Practical 2.45-GHz microwave-driven Cs-free Hˉ ion source developed at Peking University

A practical 2.45-GHz microwave-driven Cs-free H^- source was improved based on the experimental H^- source at Peking University（PKU）. Several structural improvements were implemented to meet the practical requirements of Xi＇an Proton Application Facility（XiPaf）. Firstly, the plasma chamber size was optimized to enhance the plasma intensity and stability. Secondly, the filter magnetic field and electron deflecting magnetic field were enhanced to reduce co-extracted electrons. Thirdly, a new two-electrode extraction system with farther electrode gap and enhanced water cooling ability to diminish spark and sputter during beam extraction was applied. At last, the direct H^- current measuring method was adopted by the arrangement of a new pair of bending magnets before Faraday cup（FC） to remove residual electrons. With these improvements, electron cyclotron resonance（ECR） magnetic field optimization experiments and operation parameter variation experiments were carried out on the H^- ion source and a maximum 8.5-mA pure H^- beam was extracted at 50 kV with the time structure of 100 Hz/0.3 ms. The root-mean-square（RMS） emittance of the beam is 0.25 Π·mm·mrad. This improved H^- source and extraction system were maintenance-free for more than 200 hours in operation.

亚波长光栅反射特性研究

亚波长光栅具有特殊的反射特性,可以用于各种光器件的设计。利用时域有限差分方法(FDTD)和散射矩阵方法计算了亚波长介质光栅的能带结构、本征模式以及反射谱。模拟结果显示:光栅反射谱中的共振峰是由光栅的泄漏模式引起的;在正入射和斜入射条件下,外部入射场所能激励的光栅的模式不同;通过控制光栅本征泄漏模的频率和Q值可以控制反射谱线型。实验利用电子束直写以及反应离子刻蚀等方法在绝缘体上硅(SOI)晶圆上制备出亚波长光栅结构,实验测量所得光栅的反射谱线型与模拟结果吻合得很好。

用于全固态355 nm紫外激光器的三波长高反膜

为了提高激光损伤阈值,采用离子束辅助电子束成膜的方法制备具有355,532,1064 nm三个波长的高反膜。首先使用Lambda950型分光光度计对薄膜样品的光谱性能进行测试,然后验证不同的基底材料及不同的基底清洗工艺对薄膜激光损伤阈值的影响,最后在不同的工作真空度下对薄膜的弱吸收能力和激光损伤阈值等进行较为系统的研究,分析薄膜的弱吸收能力与激光损伤阈值之间的联系。结果表明,三个波长下的反射率均满足全固态355 nm紫外激光器所要求的光学性能指标,当工作真空度增加到一定程度时,薄膜的激光损伤阈值与弱吸收值不再是对应的关系,而是存在一个最佳值,说明该高反膜可以用于全固态355 nm激光器中的反射镜。