Collision of Bare Ion Si~(14+) with the Same Z Slow-atom Si

We present the collision of bare ion Si 14+ with the same Z slow atom Si. It is shown that the cold-atom collisions are sensitive to the potential. In this paper, we present the cross sectiond for the most important transition from the 3p 13d 1 and 3p 14d 1 excited states. It is seen that there are large cross sections when the angle is larger than 80 degrees. With increasing energy, the cross section becomes decresasingly flat. PACS numbers: 34.70.+e, 32.80. Fb     

Accuracy of the Tougaard method for quantitative surface analysis. Comparison of the Universal and REELS inelastic cross sections

Three tests have been performed to investigate whether cross sections determined experimentally from reflection electron energy loss spectroscopy (REELS) are more accurate than the Universal cross section for background correction of electron spectra. In the first test, the shape of background corrected spectra from a thin layer and from an infinitely thick layer of the same element were compared for the Ag3d, Au4d, and Yb4d peaks. It was found that the Universal cross section is more accurate than the experimentally determined REELS cross sections to determine consistently the peak shape of background corrected spectra. In the second test, the intensity ratio of the two components in the Au4d, Cu2p, Zn2p, and Yb4d doublets were compared to theoretical photoionization cross sections. For both the Universal and the REELS inelastic cross sections, the obtained intensity ratios agree well with theory. In the third test, we compare with theory the peak intensity ratios to Au4d of major peaks from Si, Cu, Ag, Yb, and Au obtained by using the Universal and the REELS cross sections for background correction. For the metals, the two cross sections give peak intensity ratios that are equally close to theory to within the expected uncertainties in the theoretical peak intensity ratios. However, for Ag with application of the Universal cross section the deviation from theory is slightly larger. For Si the REELS cross section is clearly most accurate.     

Mutual recombination in slow Si^＋ ＋ H^- collisions

This paper studies the process of mutual neutralization of Si^＋ and H^- ions in slow collisions within the multichannel Landau-Zener model. All important ionic-covalent couplings in this collision system are included in the collision dynamics. The cross sections for population of specific final states of product Si atom are calculated in the CM energy range 0.05 e∨/u-5 ke∨/u. Both singlet and triplet states are considered. At collision energies below -10 e∨/u, the most populated singlet state is Si（3p4p, ^1S0）, while for energies above -150e∨/u it is the Si（3p, 4p, ^1P1） state. In the case of triplet states, the mixed 3p4p（^3S1 ＋^3P0） states are the most populated in the entire collision energy range investigated. The total cross section exhibits a broad maximum around 200 300e∨/u and for ECM ≤ 10e∨/u it monotonically increases with decreasing the collision energy, reaching a value of 8 × 10^-13 cm^2 at ECM = 0.05 e∨/u. The ion-pair formation process in Si（3p^2 ^3PJ）＋H（1s） collisions has also been considered and its cross section in the considered energy range is very small （smaller than 10^-20 cm^2 in the energy region below 1 ke∨/u）.     

类锂硅离子能级结构及软X射线激光光谱理论计算

本文采用Hartree-Fock自洽场方法,从理论上计算出类锂硅离子1s~2nl(n=2～7,l=0～5)各能级能量,并给出在极紫外(波长小于400(?))范围内各跃迁谱线的光谱性质、波长、振子强度和跃迁几率.对实验中已实现软X射线激光的跃迁(5d-3p,5f-3d,6d-3p,6f-3d),计算所得的跃迁波长与实验值完全相符.与现有文献的波长比较,相对误差不超过1%.     

Si(001)面上外延生长的Ru2 Si3电子结构及光学性质研究

基于第一性原理的赝势平面波方法,对异质外延关系为Ru2Si3(100)//Si(001),取向关系为Ru2Si3[010]//Si[110]正交相的Ru2Si3平衡体系下能带结构、态密度和光学性质等进行了理论计算.计算结果表明:当1.087 nm≤a≤1.099 nm时,正交相Ru2Si3的带隙值随着晶格常数a取值的增大而增大.当a取值为1.093 nm时,体系处于稳定状态,此时Ru2Si3是具有带隙值为0.773 eV的直接带隙半导体.Ru2Si3价带主要是由Si的3p,3s态电子及Ru 4d态电子构成;导带主要由Ru的4d及Si的3p态电子构成.外延稳定态及其附近各点处Ru2Si3介电函数的实部和虚部变化趋势基本一致,但外延稳定态Ru2Si3介电函数的曲线相对往低能区漂移,出现的介电峰减少且峰的强度明显增强.     

密度泛函理论研究SinMn (n=2～14)团簇的结构和电子性质

采用密度泛函理论中的广义梯度近似对SinMn (n=2～14) 团簇的几何构型进行优化,并对能量、频率和电子性质进行了计算. 结果表明,当n≥10时,Mn原子完全陷入Si原子形成的笼内.二阶能量差分、分裂能和垂直电离势都表明Si5Mn和Si12Mn是稳定的团簇,且12是团簇的幻数.通过对电子性质的分析发现Si12Mn团簇具有较高的化学稳定性.布局数分析表明,在Si5Mn团簇中Mn原子的磁矩(3.923 μB)是最大的.较多的电荷转移以及Mn原子的4s, 3d态和Si原子的3s, 4p态的较强杂化是导致Mn原子磁矩减小的原因.当n≥7时,SinMn 的总磁矩是1 μB.     

Mn掺杂对半金属铁磁体Fe_2Si电磁特性的影响

此文用基于密度泛函理论第一性原理的贋势平面波方法,计算了Fe_2Si及Mn掺杂Fe_2Si体系的能带结构、电子态密度和磁学特性,分析了不同位置Mn掺杂对Fe_2Si电磁特性的影响,获得了纯的和不同位置Mn掺杂的Fe_2Si体系是铁磁体,自旋向上的能带结构穿过费米面表现金属特性,纯Fe_2Si的半金属隙为0.164e V;Mn掺杂在Fe1位时,自旋向下部分转变为A-M间的间接带隙半导体,体系呈现半金属特性,此时磁矩为2.00μB,是真正的半金属性铁磁体;掺杂在Fe2位时,自旋向下部分的带隙值接近于0,体系呈现金属特性;掺杂在Fe3位时,自旋向下部分转变为L-L间的直接带隙半导体,体系呈现半金属特性等有益结果 .自旋电荷密度分布图表明Mn原子的3d电子比较局域,和周围原子成键时3d电子更倾向于形成共价键.体系的半金属性和磁性主要来源于Fe-3d电子与Mn-3d电子之间的d-d交换,Si-3p电子与Fe、Mn-3d电子之间的p-d杂化.这些结果为半金属铁磁体Fe_2Si的电磁调控提供了有效的理论指导.     

Study of the28Si(d,p)29Si reaction at 3·22 MeV

The differential cross section of the²⁸Si(d,p)²⁹Si reaction at deuteron energy 3·22 MeV has been measured and analyzed including transitions to final states in²⁹Si up to the 5·809 MeV level. Angular distributions are compared with the DWBA and Hauser-Feshbach calculations. Satisfactory agreement is obtained for most of the levels. An attempt is made to explain the angular distribution leading to the excitation of the 4·078 MeV level as a two-step process.     

Optical-model analysis of the elastic scattering of 100 MeV protons from Mg and Si

Elastic scattering differential cross sections for the interaction of 100 MeV protons with ²⁴Mg and ²⁸Si have been measured using a high-resolution Ge(Li) spectrometer to resolve the inelastic scattering contribution to the elastic peak. The results have been analysed using the conventional optical model, and the experimental differential cross sections and total reaction cross section are excellently reproduced. The results agree with previous analyses of the elastic scattering of 100 MeV protons on 1p shell nuclei in that no set of geometric parameters can provide a quantitative fit to both nuclei. It is observed, however, that the fluctuations of the optical-model parameters for optimum fits are decreased over the fluctuations observed for the 1p shell nuclei. The present results combined with previous optical-model analyses on ²⁴Mg and ²⁸Si at 50 MeV and 40 MeV respectively, are found to be consistent with an energy dependence of dV/dE ≈ −0.3 for the depth of the real central potential in agreement with other, more extensive, investigations of the energy dependence for protons elastically scattered from ¹⁶O and ⁴⁰Ca.     

Cross-channel coupling in positron-atom scattering

Coupled-state calculations including positronium channels are reported for positron scattering by atomic hydrogen, lithium and sodium. Integrated cross sections and total cross sections are presented for all three atoms. For lithium differential cross sections are also given. Throughout, comparison is made between results calculated with and without inclusion of the positronium channels. S-wave cross sections for positron scattering by atomic hydrogen in the Ps(1s, 2s, 2p)+H(1s, 2s, 2p) approximation show the high energy resonance first observed by Higgins and Burke in the coupled-static approximation. This resonance has now moved up to 51.05 eV and narrowed in width to 2.92 eV. Other pronounced structure is seen in the S-wave cross sections between 10 and 20 eV; it is tentatively suggested that this structure may be due to the formation of a temporary pseudo-molecular collision complex. Results calculated in the Ps(1s, 2s, , 2p, ,+H(1s, 2s, , 2p, approximation show convergence towards accurate values in the energy region below and in the Ore gap. Contrary to previous work on lithium using only an atomic basis, it is found that coupling to the 3d state of lithium is not so important when positronium channels are included; this is because a mixed basis of atom and positronium states gives a more rapidly convergent approximation than an expansion based on atom states alone. The threshold behaviour of the elastic cross section and the Ps(1s) formation cross section for lithium is investigated. Results in the Ps(1s, 2s, 2p)+Na(3s, 3p) approximation for sodium show good agreement with the total cross section measurements of Kwan et al.     

X-ray interface analysis of aperiodic Mo/Si multilayers

We present the non-destructive analysis of aperiodic Mo/Si multilayers by X-ray emission spectroscopy induced by electrons. The Si 3p occupied valence states of the silicon atoms present within these structures are analysed. Because of the great sensitivity of these states to the physico-chemical environment of the Si atoms, it is possible to distinguish the emission from the center of the Si layer (amorphous silicon) to that of the interfacial zones between the Mo and Si layers. Thus, the presence of molybdenum silicides is evidenced in the interfacial zones. It is also shown that the relative proportion of interfacial silicides depends on the deposition conditions.     

Total reaction and fusion cross sections at sub- and near-barrier energies for the system 7Li + 28Si

Fusion cross sections are extracted for the ⁷Li$ + $²⁸Si system, via reaction cross section and transfer measurements at sub- and near-barrier energies ( E _lab = 5.7 to 14MeV). The energy evolution of transfer to reaction cross section ratios is determined with the aid of CDCC calculations, which subsequently allows the deduction of fusion cross sections at sub- and near-barrier energies. It is shown that fusion can be well represented in a BPM context. Fusion cross sections are compared for the systems ⁷Li$ + $²⁸Si and ⁶Li$ + $²⁸Si, the latter studied previously, and are found to exhibit different strengths. Last, the direct channels determined at 13MeV, are found to be dominated by a 2n -transfer mechanism.     

轻奇特核结构中的核心激发--以11Be为例

近年来,越来越多的实验表明,很多轻奇特核结构中都有核心激发成分。本研究以丰中子晕核11Be为例,介绍核心激发成分的实验和理论研究进展,重点阐述核心激发成分对直接核反应微分截面的影响。实验上,1n移除反应及11Be（p,d）和10Be（d,p）转移反应是测量11Be核心激发成分比例的典型实验类型。理论上,发展了能够包括11Be核心激发成分的Faddeev AGS方法,XDWBA方法以及XCDCC方法。加入核心激发成分后,这些模型的计算结果可以更加合理地描述11Be在各种靶上的弹性散射和碎裂微分截面。通过对比是否包含核心激发成分的计算结果,发现其影响主要体现在弹散微分截面的大质心系角度,以及（p,d）转移反应角分布的小质心系角度。另外,对E_x=0:5s3 MeV的激发能区的碎裂反应,核心激发的影响不可忽略;对E_x=3s5:5 MeV的碎裂反应,核心激发的贡献非常重要。It was found that many light exotic nuclei have the core-excitation components. In this paper, taking one-neutron halo nucleus 11Be for example, the experimental and theoretical research progress, as well as the influences on the direct nuclear reaction differential cross sections of this exotic component were reviewed. The 1n removal, 11Be(p, d) and 10Be(d, p) transfer reactions are typical experimental methods to investigate this component. The Faddeev AGS, the XDWBA, and the XCDCC methods are developed to include this constituent in various theoretical models. With the core-excitation component, the calculated results can more reasonably describe the elastic scattering and breakup differential cross sections of 11Be impinging on various targets. Comparing the full XCDCC calculation with that omitting core-excitation effect, we found that this component mainly affects the elastic scattering differential cross sections at large center-of-mass angles, and the (p, d) transfer reaction angular distributions at small center-of-mass angles. In addition, its effect is non-negligible for the breakup reaction within the excitation energy interval of E_x = 0:5~3 MeV, and is remarkable for E_x =3 5:5 MeV.     

OsSi2电子结构和光学性质的研究

采用基于第一性原理的密度泛函理论赝势平面波方法,对正交相OsSi₂的电子结构、态密度和光学性质进行了理论计算,能带结构计算表明它是一种间接带隙半导体,禁带宽度为0813 eV;其价带主要由Os的5d和Si的3p态电子构成;导带主要由Si的3s,3p以及Os的5d态电子构成;静态介电常数ε₁（0）=1543; 折射率n＝393并利用计算的能带结构和态密度分析了OsSi₂的介电函数、吸收系数、折射率、反射率、 关键词： 2')" href="#">OsSi₂ 第一性原理 电子结构 光学性质     

作为X激光增益介质的激光等离子体特性

本文报道利用具有空间分辨能力的透射光栅谱仪对以三体复合泵浦实现锂离子(Si~(11+)X光自发辐射放大的增益介质——硅激光等离子体特性的研究。结果表明,等离子体5～100A范围软X线辐射主要来自类氦离子(Si~(12+))到(S~(11+))复合辐射和Si~(11+)(n=3→n=2)跃迁发射的贡献,且它们辐射的最大强度距靶面130μm,对应的电子密度3×10~(20)cm~(-3)与Si~(11+)+1s~23d能级的粒子数相对丰度比36;实验中还观察到Si~(11+)(1s~23d-1s~22p)跃迁发射存在着明显的自吸收现象。     

铁磁性高锰硅化物Mn_4Si_7电子特性的第一性原理计算

本文采用基于第一性原理的密度泛函理论超软雁势平面波方法,对铁磁性半导体高锰硅化合物Mn_4Si_7进行了理论计算.结果表明块体Mn_4Si_7是准直接带隙半导体材料,其价带主要是由Mn的3d轨道电子构成,导带主要是由Mn的3d及Si的3p轨道电子构成.相同自旋轨道下,自旋向下态的电子更容易占据较高的能级.而自旋向上态的电子对Mn_4Si_7的禁带宽度起主导作用. Mn_4Si_7的费米能级附近各轨道未被电子占满,且自旋向上态与自旋向下态电子的不对称分布使其具有了磁性.为Mn_4Si_7磁学特性提供主要贡献的是Mn的3d轨道电子,而Si的3p和3s轨道电子提供了一个小的贡献.     

Application of BaF2 scintillator to off-line gamma-ray spectroscopy

Total cross sections of the monitoring reaction²⁷Al(d, 3p 2n)²⁴Na at 3·0 AGeV and 3·65 AGeV were determined from direct gamma-ray counting of irradiated targets with a spectrometer using a large volume BaF₂ scintillation crystal. Cross sections of 14·1 ± 1·3 mb and 14·7 ±± 1·2 mb are compared with previous data at other energies.     

铌酸钇里Bi~(3+)敏化Tm~(3+)的近红外量子剪裁发光的浓度效应

寻找新能源为全球目前面临着的重要课题,其中最理想的新能源为太阳能。近红外量子剪裁发光方法可以把硅或锗太阳能电池响应不够灵敏的大能量光子成倍的转换成为太阳能电池响应灵敏的小能量光子,能够解决光谱失配的问题,较大幅度的提高太阳能电池的效率。很有意义。报道了掺Tm~(3+)Bi~(3+)的铌酸钇磷光粉样品材料的近红外量子剪裁发光的浓度效应。通过测量激发谱与发光谱,发现Tm_(0.058)Bi_(0.010)Y_(0.932)NbO_4有很强的1 820.0 nm近红外量子剪裁发光;进一步的分析发现,它们是由交叉能量传递过程导致的多光子量子剪裁发光;还发现了有着很强的Bi~(3+)对Tm~(3+)的敏化近红外量子剪裁发光,302.0 nm光激发导致的Tm_(0.058)Bi_(0.010)Y_(0.932)NbO_4相对Tm_(0.058)Y_(0.995)NbO_4的1820.0 nm近红外量子剪裁发光的增强达到175.5倍。该结果对探索多光子近红外量子剪裁锗太阳能电池比较有意义。     

X-ray absorption and photoemission spectroscopy of 3C- and 4H-SiC

We have studied the electronic properties of 3C- and 4H-SiC with X-ray absorption (XAS). Particular emphasis is placed on the conduction bands because they exhibit larger differences between the various SiC polytypes than valence bands. XAS spectra at the Si2p and C1s edges provide projections onto Si3d, 4s and C2p conduction band states. We explain the observed differences in the Si L_2,3 XAS data to arise from transition into dispersive bands which occur at the M and K point of the hexagonal Brillouin zone. The XAS data are sensitive to a difference in the dispersion of the two lowest conduction bands. For 3C-SiC the dispersion is larger than for 4H-SiC in agreement with theory. We compare the XAS data at the Si L edge with CFS and CIS spectra and find that the SiLVV Auger is dominant.     

Photoionization calculation for 3d and 3p subshells of mercury in the decoupled relativistic random-phase approximation

Photoionization cross section, branching ratio, and photoelectron angular distribution for 3d and 3p subshells of mercury are calculated in the channel decoupled relativistic random-phase approximation (RRPA). It is found that the results for such deep subshells are close to the results of more elaborate calculations in the (coupled) RRPA.