Methods of calculating the band structure and low-energy secondary electron spectroscopy of iridium

A theoretical interpretation is put forward for the fine structure of the secondary electron emission spectra of Ir normal to the (111) surface and the total current spectrum of an Ir polycrystal. The calculations took into account the energy dependence of the broadening of the energy band levels, the electron-electron and electron-plasmon contributions to the nonequilibrium electron distribution function, and the isotropic component of the current from the electrons scattered at the surface. It is shown that the fine structure of the secondary electron emission spectrum and the total current spectrum is mainly attributable to the electron structure of the final states into which the electrons enter or from which they are emitted so that the characteristics of the band configuration in the energy band structure can be reconstructed directly from the experimental data. This method can be used to separate bulk effects from surface effects in the secondary electron emission and total current spectra. It is confirmed that the fine structure of the secondary electron emission and total current spectra depends on the geometric structure and the degree of ordering of the crystals. A reduction in the intensity of the fine structure serves as a measure of the defect structure in the surface region of the sample which can be successfully used to monitor the surface state during treatment. Zh. Tekh. Fiz. 69, 94–96 (June 1999)     

Monte Carlo simulation of ion-induced kinetic electron emission statistics from solids

Abstract

Electron emission statistics (ES) of proton-induced electron emission from Au at keV energy are investigated by applying a Monte Carlo model to describe the transport of electrons. Apparent deviations of ES from Poisson distributions are found in the same manner as experimental ES: larger probabilities for no electron emission and for emission of 2 or more electrons. At low energy, electron cascades produce an important deviation from the Poisson distribution, in addition with deviations due to the backscattering of incident ions.     

Anomalous electron emission spectra and polarization phenomena in a lead magnesium niobate single crystal

The time dependences of the intensity and the energy positions of fine-structure of the spectra of anomalous electron emission from a polarized lead magnesium niobate (PMN) single crystal irradiated with soft x-rays are investigated experimentally. It is shown that the relaxation time of the electret charge can be determined from the graphs of these dependences, and the depth distribution of the potential in the surface layer of the sample can be determined from the profile of the anomalous electron emission spectrum. Estimates of the fields in the surface layers of a polarized PMN single crystal, obtained from the characteristics of the anomalous electron emission spectra, agree with data obtained by electrophysical research techniques. Fiz. Tverd. Tela (St. Petersburg) 39, 1446–1451 (August 1997)     

Acoustic phonon impact on the inter-Coulombic decay process in charged quantum dot pairs

ABSTRACT

Recently, highly accurate multi-configuration time-dependent Hartree electron dynamics calculations demonstrated the efficient long-range energy transfer inter-Coulombic decay (ICD) process to happen in charged semiconductor quantum dot (QD) pairs. ICD is initiated by intraband photoexcitation of one of the QDs and leads to electron emission from the other within a duration of about 150 ps. On the same time scale electronically excited states are reported to relax due to the coupling of electrons to acoustic phonons. Likewise, phonons promote ionisation. Here, the QDs' acoustic breathing mode is implemented in a frozen-phonon approach. A detailed comparison of the phonon effects on electron relaxation and emission as well as on the full ICD process is presented, which supports the previous empirical finding of ICD being the dominant decay channel in paired QDs. In addition the relative importance of phonon–phonon, phonon–electron and electron–electron interaction is analysed.     

Dynamics of magnetic insulation failure and self-organization of an electron flow in a magnetron diode

The dynamics of back cathode bombardment (BCB) instability in a magnetron diode (a coaxial diode in a magnetic field, B ≡ B _0z ≡ B ₀) is numerically simulated. The quasi-stationary regime of electron leakage across the high magnetic field (B ₀/B _cr > 1.1, where B _cr is the insulation critical field) is realized. An electron beam in the electrode gap is split into a series of bunches in the azimuthal direction and generates the electric field component E _θ(r, θ, t), which accelerates some of the electrons. Having gained an extra energy, these electrons bombard the cathode, causing secondary electron emission. The rest of the electrons lose kinetic energy and move toward the anode. Instability is sustained if the primary emission from the cathode is low and the secondary emission coefficient k _se=I _se/I _{e, BCB} is greater than unity. The results of numerical simulation are shown to agree well with experimental data. A physical model of back-bombardment instability is suggested. Collective oscillations of charged flows take place in the gap with crossed electric and magnetic fields (E × B field) when the electrons and E × B field exchange momentum and energy. The self-generation and self-organization of flows are due to secondary electron emission from the cathode.     

N23-core losses and autoionization emissions of clean and oxygen exposed zirconium

The electron energy loss spectra associated with N₂₃-excitation and the low energy N₂₃VV Auger emission have been studied for both the clean and oxygen exposed zirconium. In the high energy side of the N₂₃VV Auger spectrum, autoionization emission of electrons of the valence band due to the decay of 4p electrons excited to states ≈9eV above the Fermi level has been identified. The excitation process can be also observed in the electron energy loss spectra. This is the first time that an autoionization feature is observed in a electron excited Auger spectrum of a 4d transition metal.     

蒙特卡洛方法计算材料表面激发参数

电子非弹性散射平均自由程（IMFP）是用表面电子能谱进行表面化学定量分析时极为重要的一个参数,它可以用测量的弹性峰电子能谱分析以及蒙特卡洛模拟来确定.为了更加精确地确定电子非弹性散射平均自由程,必须对弹性峰电子能谱中的表面激发效应进行修正,通常使用介电响应理论方法计算得到的表面激发参数.然而,通过理论计算得到的表面激发参数不能包含电子在材料内部输运过程中弹性散射的影响,进而影响所测的电子非弹性散射平均自由程的准确度.在这个工作中,我们采用蒙特卡洛方法来确定包含弹性散射效应时的表面激发参数.所得到的表面激发参数在不同能量、角度情况下,尤其是在弹性散射效应显著的60°以上的大角度入射、出射情况下,都与实验测量值符合得非常好.基于这些新确定的表面激发参数,可以在弹性峰电子能谱测量中获得更为准确的电子非弹性散射平均自由程数据.     

Binary collision simulations of ion transmission through silicon single crystal films

Abstract

Computer simulation studies of the energy distribution of transmitted ions such as alpha-particles, He-, and B-ions through crystalline silicon, using the enhanced binary-collision cascade simulator MARLOWE, will be reviewed. The enhancement includes an additional electronic-energy loss (EEL) model which takes into account explicitly both the target electron density variation via the structure factors and the electron density of the projectile. Investigations of the stopping power for He ions and protons in silicon, at intermediate- and high-energies, based on the adapted EEL model and a velocity-dependent effective charge will be presented. The overall agreement between the calculated and experimentally determined stopping power data and the simulated and measured transmission spectra will be demonstrated. Effects of energy-loss straggling, core-electron contribution to the energy loss at high-energies and charge-state effects at low energies on the transmission spectra will also be discussed.     

近程碰撞对He+离子诱发背向电子发射贡献比例的计算

用Monte Carlo方法模拟了高速He+离子入射到C，Cu和Al固体表面所诱发的电子发射.用这个程序计算了背向的电子发射产额，并且同时计算了近程碰撞对总的背向电子发射产额的贡献比例，对C，Cu和Al其值分别是05，055和0.42.对在近程碰撞中产生的高能δ电子（E＞10O eV）对背向电子发射行为的影响也进行了详尽地讨论，只有那些能量为几百个eV的δ电子对产额的贡献比例较大.对于C靶，δ电子对电子阻止本领最大值附近的二次电子发射行为会产生影响.计算所得到的电子发射产额与实验结果符合得很好. 关键词： 二次电子发射 Monte Carlo模拟 近程碰撞 δ电子     

Effect of the magnetization parameter on electron acceleration during relativistic magnetic reconnection in ultra-intense laser-produced plasma

Relativistic magnetic reconnection (MR) driven by two ultra-intense lasers with different spot separation distances is simulated by a three-dimensional (3D) kinetic relativistic particle-in-cell (PIC) code. We find that changing the separation distance between two laser spots can lead to different magnetization parameters of the laser plasma environment. As the separation distance becomes larger, the magnetization parameter σ becomes smaller. The electrons are accelerated in these MR processes and their energy spectra can be fitted with double power-law spectra whose index will increase with increasing separation distance. Moreover, the collisionless shocks' contribution to energetic electrons is close to the magnetic reconnection contribution with σ decreasing, which results in a steeper electron energy spectrum. Basing on the 3D outflow momentum configuration, the energetic electron spectra are recounted and their spectrum index is close to 1 in these three cases because the magnetization parameter σ is very high in the 3D outflow area.     

Theoretical design of azaacene-based non-fullerene electron transport material used in inverted perovskite solar cells

ABSTRACT

Inverted perovskite solar cells (PSCs) have attracted much attention due to their low-temperature and solution-based process. Electron transport layers are important components in inverted PSCs. Non-fullerene n-type organic small molecules seem to be more attractive as electron transport layers, because their structures are easy to be synthesised and modified. In this paper, density functional theory and semi-classical Marcus electron transfer theory were used to explore the electron transport properties in three azaacene derivatives, including one experimentally reported molecule, 1,4,9,16-tetrakis((triisopropylsilyl)ethynyl)quinoxalino[2^?,3^?:4^″,5^″]cyclopenta[1^″,2^″,3^″:5^′,6^′]acenaphtho[1^′,2^′:5,6]pyrazino[2,3-b]phenazine (1), and two theoretically designed molecules (2 and 3). Compound 2 is formed by substituting i-Pr groups in compound 1 with H atoms, which is designed to evaluate the effect of i-Pr groups on the electron transport properties. Compound 3 is designed by adding one more benzopyrazine group to the conjugation structure of compound 1. It shows that i-Pr group can increase HOMO and LUMO energy levels and improve solubility in organic solvent and hydrophobicity. Enlarging conjugation can not only decrease LUMO energy level and electron reorganisation energy, but also can increase solubility and electron mobility. So our designed compound 3 is expected to be a potential electron transport material in inverted PSCs.     

The influence of ion bombardment on emission properties of small dust grains

Dust grains that are present in many plasma and vacuum systems and in the space usually carry a non-negligible charge. Their charging significantly depends on surface properties of the grain material. In cold plasma, charging is mainly given by electron attachment, nevertheless, when plasma becomes hot, other processes (secondary electron emission, field emission, etc.) take place. Emission properties of the grain surface could be modified by grain baking or by ion bombardment. Our study is carried out at the dust charging experiment dealing with a single dust grain electro-dynamically levitated in a 3D quadrupole trap. The grain can be exposed to the ion beam in the energy range of 100 eV–5 keV and to the electron beam in the energy range of 100 eV–10 keV. We have chosen He⁺ and Ar⁺ ions for the surface treatment and the observed influence on the surface properties is discussed in terms of secondary emission. A non-negligible shift of the secondary electron emission yield, as well as a change of energy distribution of secondary electrons, were measured after Ar⁺ bombardment. A preliminary study suggests that the effects of He⁺ and Ar⁺ are comparable.     

Temperature evolution of the surface region of CVD diamond: an electron spectroscopy study

An electron spectroscopic investigation (photoemission and X-ray induced Auger emission) of the near surface region of undoped CVD polycrystalline diamond is presented. The focus is on compositional and structural changes brought about by desorption processes (either photon or thermally induced) and on the associated changes in the material’s properties. Photon and low temperature induced desorption of O containing species, resulting in a clean H terminated diamond surface, is found to decrease the diamond surface conductivity (SC) and to lower the vacuum energy. Electron emission is highly favoured from such a surface, as witnessed by its negative electron affinity (NEA). H desorption at T ≈ 900 °C leads to surface reconstruction and causes both the vacuum energy to rise and the electron energy levels to bend downwards. As a result, the diamond electron affinity is driven from negative to positive. At T = 1050 °C, the first stages of a graphitization process that propagates from the surface inwards are revealed by an increasing conductivity in the film surface region, though still not by the development of graphitic features in the spectra.     

Luminescence characterization and electron beam induced chemical changes on the surface of ZnAl2O4:Mn nanocrystalline phosphor

Luminescence characteristics and surface chemical changes of nanocrystalline Mn²⁺ doped ZnAl₂O₄ powder phosphors are presented. Stable green cathodoluminescence (CL) or photoluminescence (PL) with a maximum at ∼512 nm was observed when the powders were irradiated with a beam of high energy electrons or a monochromatic xenon lamp at room temperature. This green emission can be attributed to the ⁴T₁ → ⁶A₁ transitions of the Mn²⁺ ion. Deconvoluted CL spectra resulted in two additional emission peaks at 539 and 573 nm that may be attributed to vibronic sideband and Mn⁴⁺ emission, respectively. The luminescence decay of the Mn²⁺ 512 nm emission under 457 nm excitation is single exponential with a lifetime of 5.20 ± 0.11 ms. Chemical changes on the surface of the ZnAl₂O₄:Mn²⁺ phosphor during prolonged electron beam exposure were monitored using Auger electron spectroscopy. The X-ray photoelectron spectroscopy (XPS) was used to determine the chemical composition of the possible compounds formed on the surface as a result of the prolonged electron beam exposure. The XPS data suggest that the thermodynamically stable Al₂O₃ layer was formed on the surface and is possibly contributing to the CL stability of ZnAl₂O₄:Mn phosphor.     

低温氩等离子体中的单探针和发射光谱诊断技术

使用静电探针和发射光谱分析方法，测量了实验室圆柱形辉光等离子体轴向I-V曲线和发射光谱.通过电子能量概率函数方法、Fermi-Dirac模型、低气压放电的Schottky扩散理论，分别计算了等离子体的电子温度、电子激发温度和电子密度.研究了利用等离子体发射光谱计算电子激发温度、低气压放电理论估算电子密度的方法与静电探针诊断方法的内在联系，讨论了不同方法的使用特点.所研究的方法在某些特殊环境的等离子体参数诊断中具有较好的参考和应用价值. 关键词： 静电探针 发射光谱 电子能量概率函数 Fermi-Dirac模型     

Study on Infrared Spectral Radiance by Remote Fourier Transform Infrared Spectroscopy

Abstract

Infrared emission spectra emitted by high luminosity infrared pyrotechnics have been observed remotely using the Fourier transform infrared spectroscopy. The primary purpose of the study is to determine infrared spectral radiance distribution, their time—resolved spectra and integrated emission energy. The spectra have been recorded between 4000 – 800cm^?1 region with spectral resolution of 4cm^?1. The study is very important for many applications.     

太赫兹源场致发射电子源

通过粒子模拟(PIC)软件模拟计算了在ps级别下二极与三极结构碳纳米管场致发射的电流密度与电子注聚焦性能。阳极电压在2 kV时,二极结构下电流密度达到1.85 A/cm2;三极结构下,栅压700 V时发射电流密度达到2.3 A/cm2,且在一定的三极结构参数与电极电压下,可以获得较好的电子注聚束效果。通过碳纳米管二极管发射实验,获得了6.6 A/cm2的发射电流密度,总发射电流达到52.1 mA,可以为太赫兹器件提供连续发射的电子注。     

储存环光学速调管自发辐射模拟研究

用蒙特卡洛方法模拟了合肥储存环上ＴＯＫ的自发辐射，通过模拟结果分析和讨论了电子束团能散和发射度对自发辐射谱的作用，并和实验结果进行了比较，分析了实验测出的自发辐射谱调制因子很低的原因。     

EACVD中用氢原子谱线测定电子平均能量

采用蒙特卡罗方法，对EACVD中氢原子的发射过程进行了模拟。给出了由氢原子谱线测定电子平均能量的方法，结果对EACVD生长金刚石薄膜过程中实时监测电子平均能量，进而可以有效地控制工艺条件，生长出高质量的金刚石薄膜具有重要意义。     

同轴空心阴极氦等离子体的电子激发温度研究

利用同轴空心阴极放电装置,产生氦低温等离子体。通过对等离子体的发射光谱进行测量和计算,研究放电功率以及氦气压强对等离子体的电子激发温度的影响。结果表明:氦低温等离子体的发射光谱主要由连续谱和原子谱线构成,放电功率和压强对谱线的强度具有明显影响。压强的变化不仅影响电子从电场中获得的能量,还会影响电子与原子的碰撞频率,从而导致电子激发温度随着氦气压强的增大,出现先上升后下降的变化趋势。