Z1- AND Z2-OSCILLATIONS OF ELECTRONIC STOPPING CROSS SECTIONS OBTAINED BY SHELL-WISE CALCULATION AND HARMONIC-OSCILLATOR MODEL

A shell-wise calculation method and a quantal harmonic-oscillator model have been used to calculate the electronic stopping cross sections for heavy ions colliding with atoms or penetrating matter. The electronic energy loss is given in an impact parameter formalism. In order to generalize the theoretical models, which pertain to the cese of point charge interacting with matter, to the case for heavy ions, an effective stopping charge hased on the modified BK theory is used by way of simple scaling in the calculations. The comparisons between the calculated results and the experimental data demonstrate a favourable evidence to justify the theoretical models.     

离子注入Al0.25Ga0.75As/GaAs的Raman光谱研究

0.8 MeV的Si离子注入Al_0.25Ga_0.75As/GaAs外延薄膜的弱损伤特征.注入剂量从1×10¹⁴～5×10¹⁵ cm^-2,对注入后的样品采用了Raman光谱测量,观察到了两类声子模式,该外延材料的晶格振动显示出“双模”行为.并计算了在注入层中的应变以及晶格常数随剂量的变化.此外还测量了样品的Rutherford背散射和沟道谱(RBS/C),结果表明与Raman光谱测量一致的结论：该注入条件只引起材料的弱损伤行为.     

生物厚靶的He+离子透射能谱

测量了５００ ｋｅ Ｖ—１ Ｍｅ Ｖ 的 Ｈｅ ＋ 离子穿过５０ —９０ μｍ 厚度的玉米种皮、葡萄果皮和西红柿果皮的透射能谱．结果表明这些生物厚靶是不均匀的,存在着类似于“沟道”的开放通道,沿着这些通道入射离子可以容易地透过靶材料．虽然大多数离子停留在靶中,但一部分透射离子只损失很少的能量．透射能谱显示出一种纯粹的电子阻止特征．３０ μｍ 厚度样品的透射电子显微镜图谱（ Ｔ Ｅ Ｍ） 显示１５０ ｋｅ Ｖ 的电子可以穿过这些样品得到很清晰的图象．β１ ,４ 葡聚糖是生物种皮或果皮细胞壁的重要的组成部分,计算了该分子链的电子结构,指出了生物样品中可能存在的通道方向．     

Proton Inelastic Mean Free Path in a Group of Organic Materials in 0.05-10MeV Range

Inelastic mean free paths （MFPs） of 0.05-10 MeV protons in a group of 10 organic compounds are systematically calculated. The calculations are based on the method newly derived from the Ashley optical-data model and from the higher-order correction terms in stopping power calculations. Especially, in this method the new and empirical Bloch correction for the inelastic MFP is given. An evaluation for the optical energy loss function is incorporated into the present calculations because of the lack of available experimental optical data for the considered organic compounds expect for kapton. The proton inelastic MFPs for these 10 organic compounds in the energy range from 0.05 to 10 MeV are presented here for the first time, and the combination of these inelastic MFP data and our previous data of stopping power calculation for these bioorganic compounds may form a useful database for Monte Carlo track-structure studies of various radiation effects on these materials.     

Monte Carlo Simulation on Energy Deposition of Low-Energy Electrons in Liquid Water

A Monte Carlo approach to simulate the transport and energy deposition of low energy electrons (E0≤10keV) in liquid water is presented. The elastic scattering of electrons is described by Mott cross section, which is derived from the relativistic wave equation of Dirac. The inelastic scattering model of electrons is based on the dielectric response theory with exchange effect included. A new method of sampling various inelastic scattering events is proposed in the simulation. Using the approach stated, the spatial distribution of inelastic scattering events and energy deposition of electrons in liquid water are computed and the results are compared with other theoretical studies.     

Z1- AND Z2-OSCILLATIONS OF ELECTRONIC STOPPING CROSS SECTIONS OBTAINED BY SHELL-WISE CALCULATION AND HARMONIC-OSCILLATOR MODEL

A shell-wise calculation method and a quantal harmonic-oscillator model have been used to calculate the electronic stopping cross sections for heavy ions colliding with atoms or penetrating matter. The electronic energy loss is given in an impact parameter formalism. In order to generalize the theoretical models, which pertain to the cese of point charge interacting with matter, to the case for heavy ions, an effective stopping charge hased on the modified BK theory is used by way of simple scaling in the calculations. The comparisons between the calculated results and the experimental data demonstrate a favourable evidence to justify the theoretical models.     

Polymerization of Silicon-Doped Heterofullerenes： an Ab Initio Study

We perform the calculations on geometric and electronic structures of Si-doped heterofullerene C5oSi10 and its derivatives, a C40Si20-C40Si20 dimer and a C40Si20-based nanowire by using density-functional theory, The optimized configuration of the C40Si20-based nanowire exhibits a regular dumbbell-shaped chain nanostructure. The electronic structure calculations indicate that the HOMO-LUMO gaps of the heterofullerene-based materials can be greatly modified by substitutionally doping with Si atoms and show a decreasing trend with increase cluster size. Unlike the band structures of the conventional wide band gap silicon carbide nanomaterials, the C40Si20- based nanowire has a very narrow direct band gap of 0.087eV.     

低能束作用下衬底上超薄膜背散射电子发射

应用MonteCarlo方法模拟千电子伏低能束作用下,不同衬底上不同薄膜背散射电子发射.应用Mott散射截面和Joy方法修正的Bethe方程描述和计算低能电子在固体中弹性和非弹性散射,引入边界方程,修正穿越薄膜与衬底界面的电子散射路径.计算分析了薄膜背散射系数η随薄膜厚度D的变化和规律,以及不同情况下ηD线性区范围的分布及其定量结果Dmax.计算了背散射电子角分布和空间密度分布. 关键词： 背散射电子 MonteCarlo方法 超薄膜     

生物厚靶的He+离子透射能谱

测量了500keV—1MeV的He⁺离子穿过50—90μm厚度的玉米种皮、葡萄果皮和西红柿果皮的透射能谱．结果表明这些生物厚靶是不均匀的,存在着类似于“沟道”的开放通道,沿着这些通道入射离子可以容易地透过靶材料．虽然大多数离子停留在靶中,但一部分透射离子只损失很少的能量．透射能谱显示出一种纯粹的电子阻止特征．30μm厚度样品的透射电子显微镜图谱(TEM)显示150keV的电子可以穿过这些样品得到很清晰的图象．β-1,4葡聚糖是生物种皮或果皮细胞壁的重要的组成部分,计算了该分子链的电子     

Hydrogen Storage in Benzene Moiety Decorated Single-Walled Carbon Nanotubes

The hydrogen storage capacity of （5, 5） single-walled carbon nanotubes （SWNTs） decorated chemically with benzene moieties is studied by using molecular dynamics simulations （MDSs） and density functional theory （DFT） calculations. It is found that benzene molecules colliding on （5, 5） SWNTs at incident energy of 50eV form very stable configurations of benzene moiety adsorption on the wall of SWNTs. The MDSs indicate that when the benzene moiety decorated （5, 5） SWNTs and a pristine （5, 5） SWNT are put in a box in which hydrogen molecules are filled to a pressure of ～26 atm, the hydrogen storage capacity of the benzene moiety decorated （5, 5） SWNT is about 4.7wt.% and that of the pristine （5, 5） SWNT is nearly 3.9wt.%.