Electron localization of linear symmetric molecular ion H_3~(2+)

Electron localization in the dissociation of the symmetric linear molecular ion H_3~(2+) is investigated. The numerical simulation shows that the electron localization distribution is dependent on the central frequency and peak electric field amplitude of the external ultrashort ultraviolet laser pulse. When the electrons of the ground state are excited onto the 2pσ~2Σ_u~+ by a one-photon process, most electrons of the dissociation states are localized at the protons on both sides symmetrically. Almost no electron is stabilized at the middle proton due to the odd symmetry of the wave function. With the increase of the frequency of the external ultraviolet laser pulse, the electron localization ratio of the middle proton increases, for more electrons of the ground state are excited onto the higher 3pσ~2Σ_u~+ ustate. 50.9% electrons of all the dissociation events can be captured by the middle Coulomb potential well through optimizing the central frequency and peak electric field amplitude of the ultraviolet laser pulse. Besides, a direct current(DC) electric field can be utilized to control the electron motions of the dissociation states after the excitation of an ultraviolet laser pulse, and 68.8% electrons of the dissociation states can be controlled into the middle proton.     

Self-consistent structure of a dc discharge with a closed hall current in crossed electric and magnetic fields

A dc glow discharge with a closed Hall current in crossed electric and magnetic fields in helium is investigated. It is shown that the main features of an unmagnetized dc discharge [1] (such as the separation of the discharge into a space charge sheath and a quasineutral plasma, the formation of a cathode fall region and a negative glow, the appearance of a region with a reversed electric field producing a potential well for low-energy electrons and resulting in the formation of a Faraday dark space, and the formation of three pronounced groups of electrons in the electron distribution function) are also retained in a discharge in crossed fields. It is found that the sheath length is almost independent of the magnetic field, while the length of the negative glow region decreases appreciably with increasing magnetic field. The measured electron distribution function agrees well with the nonlocal theory, according to which the current in the Faraday dark space is carried by the intermediate electrons that are not trapped in the potential well and the energies of which are lower than the first excitation energy.     

混合场介质表面单边次级电子倍增效应统计

综合考虑发射电子的发射能量、发射角度及微波场的相位分布等因素,运用统计方法,研究了介质表面单边次级电子倍增过程中次级电子数目、瞬时直流场、渡越时间、微波场的沉积功率等次级电子倍增特征物理量随碰撞次数的变化过程,仿真分析了不同夹角、不同反射系数对次级电子倍增的影响。研究结果表明:当倾斜直流场一定时,微波场的反射系数越小,雪崩击穿的延迟时间越长,饱和状态下的次级电子数目越大;微波场一定时,当直流电场平行于介质板表面时,直流电场幅值越大,雪崩击穿的延迟时间越长,饱和状态下的次级电子数目越大,但当电场强度超过一定值时,次级电子倍增现象不再发生,当直流场垂直介质板表面,直流电场幅值越大,雪崩击穿的延迟时间越长,饱和状态下的次级电子数目越小,幅值超过一定值时,次级电子倍增现象同样不会发生。     

Anomalous behavior of conductivity of the confined Q1D electron system over liquid helium

Conductivity of electrons in a quasi-one-dimensional (Q1D) system over liquid helium in narrow channels with the parabolic profile of the potential well has been investigated at temperature T, from 0.4 to 1.8 K, for different driving electric fields and radius of channel curvature. The interval of linear electron densities varied from 2.18×10³ up to 1.7×10⁶ cm⁻¹.

The inverse mobility (1/μ_eff) in the electron-ripplon scattering region at the high linear densities of charges in the channel increases with temperature decreasing. This anomalous behavior of the electron transport in the low-temperature region has been explained by either the electron ordering or the polaronic effects in confined conducting channels. The nonlinear behavior of the electron velocity as a function of a driving electric field is supposed to be due to Breg–Cherenkov radiation of the ripplons. The radiation occurred if the velocity of electrons in the channel approaches to the critical value.     

Ferroelectric phase transition in graphene with the Hubbard interaction

It has been revealed that, as an external dc electric field is applied to graphene with the Hubbard interaction between electrons, a spontaneous electric field perpendicular to the applied field can appear. This effect can be due to the nonequilibrium electron subsystem in graphene. The spontaneous field characteristics have been found as a function of the parameters of the problem.     

Kinetic Theory of Inhomogeneous Plasmas Situated in RE Fields

The stability effect that an RF electric field imposes on drift instabilities in a magnetized plasma, inhomogeneous in density and temperature, is investigated in the kinetic approximation, taking account of the finite ion Larmor radii. Stabilization of drift instabilities is examined in three frequency ranges:?/k? < ?th,i, ?th,i < ?/k? < ?th,e, and ?/k? > ?th,e, where k? is the component of the wave vector parallel to the applied dc magnetic field, and ?th, e and ?th, i are the electron and ion thermal speeds, respectively. It is found that stabilization is most effective for the medium phase-velocity range, where the drift instability, driven by streaming electrons, is strongest and sensitive to the ratio Ln/LT, where Ln and LT are the density and temperature gradient scale lengths, respectively.     

Low-temperature scattering on charged impurities in semiconductors making no problems in principle?

The Kadanoff and Baym kinetic equations are formally solved for electrons in a dc electric field scattered in compensated semiconductors by charged unscreened impurities introducing the energy as well as momentum dependent relaxation time. It is argued that problems connected with a divergent scattering rate (in the case of uncorrelated impurities) in the Boltzmann formulation of the problem are due to unjustified neglect of the quasiparticle character (broadening) of the electron spectrum.     

外场作用下C12H4Cl4O2的分子结构和电子光谱研究

各种环境毒物危害着人类的生产生活,二噁英更是严重危害人类的健康.C₁₂H₄Cl₄O₂（2,3,7,8-tetrachlorodibenzo-p-dioxin,TCDD）是二噁英中毒性最强的化合物,也是目前已知毒性最强的污染物.为研究TCDD外场效应,采用密度泛函理论方法优化了不同静电场0–0.025 a.u.（0–1.2856×10¹⁰ V/m）作用下TCDD分子的基态几何结构,得到了分子总能量;在此基础上,采用含时密度泛函理论方法对TCDD分子的紫外-可见（UV-Vis）吸收光谱在不同外电场下的变化进行了研究.结果表明：分子几何构型与电场大小呈现强烈的依赖关系,分子总能量随着外电场的增强而减小;伴随着外电场的增强,分子激发态的摩尔吸收系数逐渐减小,UV-Vis吸收峰显著红移.     

Calculation of profile of charge carrier concentration in modulation doped structure with a wide potential well

We investigate the equilibrium state of interacting electron system with Fermi statistics in modulation doped structure with a wide quantum well. The model is formulated for the carrier system with a sufficiently high density, such that the de Broglie wavelength of electrons is smaller than the width of the quantum well. Due to a significant interaction of electrons with electric field of the doped layer, a state with strongly‐inhomogeneous density of electrons is formed. Within the hydrodynamic approach, we set up formalism for calculating the electron density across the width of the potential well. We have obtained the exact solution of the equations, which is expressed in terms of hypergeometric functions. Based on the deduced formulas, we performed numerical computations for the profile of carriers' concentrations in a potential well in the modulation doped Si/SiGe/Si structures.     

Heating mechanism in one-dimensional bounded magnetized inductively coupled plasma

A self-consistent nonlocal kinetic model has been established to investigate the electron heating mechanism in an one-dimensional bounded magnetized inductively coupled plasma (MICP) under low pressures. The interaction function of electrons with rf electric field and electron energy distribution function (EEDF) are determined by solving the linearized Boltzmann equation incorporating with the Maxwell equations. The numerical results show that the presence of the direct-current (dc) magnetic field plays an important role in the EEDF and high-energy electrons are efficiently heated by the Azbel–Kaner resonances under the anomalous skin-effect conditions.     

电场作用下溴甲烷的光谱和解离特性

采用了密度泛函理论（density functional theory,DFT）,在6-311++G（d,p）基组水平上使用B3LYP方法研究外电场（0-0.05a.u.）对于溴甲烷分子的键长、能隙及解离势能面的影响.结果表明：外加电场的方向和大小对于分子结构和解离势能面均有显著的影响.随着负向外电场（Br-C键方向）从0增加到0.05a.u.,C-Br键的键长先减小后增大,C-H键的键长逐渐增加,分子能隙E_G逐渐减小,C-Br键的str振动频率逐渐增加而IR振动频率逐渐减小.进一步计算发现：随着正向外电场（C-Br键方向）从0增加到0.03a.u.,溴甲烷分子的势能曲线有所降低,解离势垒逐渐减小.因此,可以通过外电场来控制CH₃Br分子的降解.     

Al0.6Ga0.4N/GaN/Al0.3Ga0.7N/Al0.6Ga0.4N量子阱中的Rashba自旋劈裂

正如人们所知, 可以通过电场或者设计非对称的半导体异质结构来调控体系的结构反演不对称性(SIA)和Rashba自旋劈裂. 本文研究了Al_0.6Ga_0.4N/GaN/Al_0.3Ga_0.7N/Al_0.6Ga_0.4N量子阱中第一子带的Rashba 系数和Rashba自旋劈裂随Al_0.3Ga_0.7N插入层(右阱)的厚度w_s以及外加电场的变化关系, 其中GaN层(左阱)的厚度为40-w_s Å. 发现随着w_s的增加, 第一子带的Rashba系数和Rashba自旋劈裂首先增加, 然后在w_s>20 Å 时它们迅速减小, 但是w_s>30 Å时Rashba自旋劈裂减小得更快, 因为此时k_f也迅速减小. 阱层对Rashba系数的贡献最大, 界面的贡献次之且随w_s变化不是太明显, 垒层的贡献相对比较小. 然后, 我们假w_s=20 Å, 发现外加电场可以很大程度上调制该体系的Rashba系数和Rashba自旋劈裂, 当外加电场的方向同极化电场方向相同(相反)时, 它们随着外加电场的增加而增加(减小). 当外加电场从-1.5×10⁸ V·m^-1到1.5×10⁸ V· m^-1变化时, Rashba系数随着外加电场的改变而近似线性变化, Rashba自旋劈裂先增加得很快, 然后近似线性增加, 最后缓慢增加. 研究结果表明可以通过改变GaN层和Al_0.3Ga_0.7N层的相对厚度以及外加电场来调节Al_0.6Ga_0.4N/GaN/Al_0.3Ga_0.7N/Al_0.6Ga_0.4N量子阱中的Rashba 系数和Rashba自旋劈裂, 这对于设计自旋电子学器件有些启示.     

固态阴极射线器件复合加速层的研究

固态阴极射线器件的加速层,是提高固态阴极射线性能的重要部分,它能够加大电子能量,倍增电子数量。其中增加注入电子从而提高过热电子的数量,是提高固态阴极射线器件性能的关键。为此 ,文章尝试将加速层复合,兼顾加速与电子注入性能。首先将SiO₂,ZnS和ZnO分别与有机聚合物MEH-PPV组合,确定较适合的复合加速层的组合：SiO₂/ZnS和 ZnO/SiO₂。然后将这两种复合加速层的性能对比,发现SiO₂/ZnS的性能更优越,因为电子注入性能ZnS和ZnO相当,而电子加速倍增性能ZnS明显优于ZnO,其中 SiO₂为主要的加速层,而ZnS起到降低注入势垒变成阶梯势垒的作用。最后又将复合加速层结构的固态阴极射线器件和传统的SiO₂夹层固态阴极射线器件对比,发现这种复合 加速层结构,尤其在高场下,可提高固态阴极射线的初电子源和过热电子的数目,从而提高其发光效率具有促进作用。     

Effect of a magnetic field on thermally stimulated ionization of impurity centers in semiconductors by submillimeter radiation

The probability of electron tunneling from a bound state into a free state in crossed ac electric and dc magnetic fields is calculated in the quasiclassical approximation. It is shown that a magnetic field decreases the electron tunneling probability. This decreases the probability of thermally activated ionization of deep impurity centers by submillimeter radiation. The logarithm of the ionization probability is a linear function of the squared amplitude of the electric field and increases rapidly with the frequency of the electric field.     

丙烯醛在外电场中的解离性质

利用密度泛函理论（DFT）计算方法,在6-31G+（d,p）基组上,讨论C₃H₄O气体分子在受到外加电场（-10.28 V·nm^-1~10.28 V·nm^-1）作用时的结构特征和解离特性。计算发现,沿分子共轭单键的方向电场增强时,总能量增大,碳碳双键和碳碳单键的键长减小,碳氧双键键长增大,偶极矩减小;能隙E_G增加,红外吸收峰在不同的频率分别发生红移和蓝移,同时IR强度发生变化。分子解离性能表现为：势能壁垒随着外电场增大而降低,达到25.71 V·nm^-1时势能壁垒几乎消失,解离能随着电场增加而逐渐降低,说明在电场作用下解离难度逐渐减小。研究结果为C₃H₄O气体分子或含有该成分的混合物在外电场下的解离特性研究提供参考。     

Criterion for microwave breakdown of gases

An analytical criterion is obtained for microwave breakdown of gases that takes into account the different diffusion coefficients of electrons along and perpendicular to the direction of the electric field. Discharge ignition without electron attachment to the gas molecules and in electronegative gases is examined, along with microwave discharge ignition when a weak dc electric field is applied. Zh. Tekh. Fiz. 69, 25–29 (November 1999)     

高能电子辐射下聚四氟乙烯深层充电特性

介质深层充放电现象是诱发航天器异常故障的重要因素之一.分析了高能电子辐射下介质内部电荷沉积、能量沉积特性和电导特性,考虑了真空与介质界面电荷对电场分布的影响,建立了介质二维深层充电的物理模型,并基于有限元方法实现了数值计算.计算了高能电子辐射下聚四氟乙烯的深层充电特性.结果表明:真空环境下,介质的表面存在较弱的反向电场,随着介质深度增大,电场减小至零,随后逐渐增大,最大值出现在靠近接地附近,但在接地点,电场存在小幅降低.分析了不同辐射时间下(1 h,1 d,10 d和30 d),介质内部最大电位和最大电场的时空演变特性.随着辐射时间的增加,最大电位由-128V增加至-7.9×104V,最大电场由2.83×105V·m-1增加至1.76×108V·m-1.讨论了入射电子束流密度对最大电场的影响,典型空间电子环境(1×10-10A·m-2)下,电子辐照10 d时,介质内部最大电场为2.95×106V·m-1.而恶劣空间电子环境(2×10-8A·m-2)下,电子辐射42 h,介质内部最大电场即达到108V·m-1,超过材料击穿阈值(约为108V·m-1),极易发生放电现象.该物理模型和数值方法可以作为航天器复杂部件多维电场仿真的研究基础.     

不同电场下碳纳米管场致发射电流密度研究

本文运用密度泛函理论和金属电子论, 深入研究了碳纳米管场致发射电流的变化规律. 结果显示其发射电流密度取决于体系的态密度、赝能隙、管长和局域电场, 在不同范围电场下的变化规律不同. 在较低电场下, 发射电流密度随电场增强而近似线性增大(对应的宏观电场须小于18 V· μm^-1); 但在较高电场下, 发射电流密度随外电场增加呈现非周期性振荡增长趋势, 碳纳米管表现为电离发射. 本文进一步研究了金属性碳纳米管电导率在不同电场下的变化规律.     

Kinetic parameters,collision rates,energy exchanges and transport coefficients of non-thermal electrons in premixed flames at sub-breakdown electric field strengths

The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which results in high-energy, non-thermal electrons, is analysed in detail at sub-breakdown conditions. The rates of inelastic collisions and the energy exchange between electrons and neutrals in the reaction zone of the flame are characterised quantitatively. The analysis includes attachment, ionisation, impact dissociation, and vibrational and electronic excitation processes. Our results suggest that Townsend breakdown occurs for E/N = 140 Td. Vibrational excitation is the dominant process up to breakdown, despite important rates of electronic excitation of CO, CO₂ and N₂ as well as impact dissociation of O₂ being apparent from 50 Td onwards. Ohmic heating in the reaction zone is found to be negligible (less than 2% of peak heat release rate) up to breakdown field strengths for realistic electron densities equal to 10¹⁰ cm^?3. The observed trends are largely independent of equivalence ratio. In the non-thermal regime, electron transport coefficients are insensitive to mixture composition and approximately constant across the flame, but are highly dependent on the electric field strength. In the thermal limit, kinetic parameters and transport coefficients vary substantially across the flame due to the spatially inhomogeneous concentration of water vapour. A practical approach for identifying the plasma regime (thermal versus non-thermal) in studies of electric field effects on flames is proposed.