空间电荷效应对热场致发射中诺廷汉效应的影响

热场致发射阴极所产生的强流电子束具有很强的空间电荷效应,为研究该效应对热场致发射过程中诺廷汉（Nottingham）效应的影响机理,在理论分析的基础上,用数值方法研究了不同逸出功和多个外加电场条件下考虑空间电荷效应对诺廷汉效应结果的影响,并与不考虑空间电荷效应时的情形进行了对比. 结果表明：空间电荷效应的强弱会显著影响到阴极表面的稳态电场,进而对诺廷汉效应产生不可忽略的影响;当逸出功在3.0–4.52 eV、外加电场在3×10⁹–9×10⁹ V/m范围内时,考虑空间电荷效应的影响后,热场致发射电子所带走的平均能量较不考虑空间电荷效应时增加0–2.5 eV,且温度越高或外加电场越大时,该增加值越大;考虑空间电荷效应对诺廷汉效应的影响后,热场致发射电子从阴极带走的平均能量随外加电场的增加呈非线性下降规律;当阴极表面温度较高时,诺廷汉效应中的冷却效应随二极管间隙距离的变大而增强. 关键词： 热场致发射 诺廷汉效应 空间电荷效应 阴极表面电场     

GeTe和GeSe 分子在外电场下的特性研究

对Ge原子采用6-311++G^**基函数,Te和Se原子采用SDB-cc-pVTZ基函数,利用密度泛函理论的局域自旋密度近似方法优化得到了GeTe和GeSe分子的稳定构型,并计算了外电场作用下GeTe和GeSe基态分子的平衡核间距、总能量、最高已占据分子轨道能量E_H、最低未占分子轨道能量E_L、能隙、谐振频率和红外谱强度. 在上述计算的基础上利用单激发组态相互作用-局域自旋密度近似方法研究了GeTe和GeSe分子在外电场下的激发特性. 结果表明:随着正向电场强度的增大,分子核间距逐渐增大,分子总能量逐渐降低,谐振频率逐渐减小,红外谱强度则逐渐增大. 在0-2.0569×10¹⁰ V·m^-1的电场范围内,GeTe分子的E_H 均高于GeSe分子的E_H;随着正向电场的增大,GeTe与GeSe的E_H差逐渐变大,GeTe的E_L低于GeSe的E_L,它们的E_L均随正向电场的增大而增大. 无外场时,GeTe分子的能隙比GeSe分子的能隙要小;在外电场反向增大的过程中, GeTe和GeSe的分子能隙始终减小. 外电场的大小和方向对GeTe和GeSe分子的激发能、振子强度及跃迁的波长均有较大影响. 关键词： GeTe GeSe 外电场 激发态     

Electronic properties of BN-doped bilayer graphene and graphyne in the presence of electric field

In the present paper, we have used density functional theory to study electronic properties of bilayer graphene and graphyne doped with B and N impurities in the presence of electric field. It has been demonstrated that a band gap is opened in the band structures of the bilayer graphene and graphyne by B and N doping. We have also investigated influence of electric field on the electronic properties of BN-doped bilayer graphene and graphyne. It is found that the band gaps induced by B and N impurities are increased by applying electric field. Our results reveal that doping with B and N, and applying electric field are an effective method to open and control a band gap which is useful to design carbon-based next-generation electronic devices.     

外电场下2,2’,5,5’-四氯联苯的分子结构与电子光谱

多氯联苯(PCBs)是难降解有机污染物, 2, 2’, 5, 5’-四氯联苯(PCB52)是PCBs的一种, 研究通过对PCB52分子加外电场的方法来降解该物质. 采用密度泛函B3LYP方法在6-311+g(d)基组水平上优化并计算了不同外电场(-0.04–0.04 a.u.)作用下PCB52的基态分子结构参数、分子总能量、电偶极矩和电荷分布. 然后利用含时密度泛函方法研究了PCB52分子在外电场下的前六个激发态的波长、激发能量和振子强度的影响. 结果表明: 随着外电场的增加, 1C–21Cl和14C–20Cl键的键长增大; PCB52的两个苯环在外加电场下, 二面角增大, 分子毒性减弱; PCB52分子能隙减小, 导致分子更容易受激发而跃迁到激发态发生还原脱氯反应. 外电场的增大, 激发态的激发能在迅速减小, 吸收波长也迅速红移, 振子强度不再为零. 表明电场作用下, 分子易于激发和解离. 关键词： 2,2’,5,5’-四氯联苯 电场 基态 激发特性     

金纳米环双体尺寸和耦合效应对表面等离子体共振特性的影响

采用离散偶极子近似方法系统地研究了金纳米环双体的消光光谱及其电场分布. 计算结果表明, 金纳米环双体在耦合作用下的共振消光峰对应着不同振动模式, 改变金纳米环双体的排列方式、 间距和尺寸大小, 其表面等离子体共振消光峰发生红移或蓝移. 因此可以通过对金纳米环双体结构参数和排列方式的设定, 调节其表面等离子体共振消光峰的位置. 电场分布表明, 水平排列的金纳米环双体较单个金纳米环产生更强的局部表面增强电场. 适当的小间距, 较大的内外半径的金纳米环水平阵列更适合做表面增强拉曼散射的衬底, 在生物分子检测等领域具有潜在的应用.     

外电场作用下二氧化硅分子的光激发特性研究

采用密度泛函B3P86和组态相互作用方法在6-311G**基组水平上计算了二氧化硅分子从基态到前5个激发态的跃迁波长、振子强度、自发辐射系数A_n0和吸收系数B_0n（n=1—5）.研究了外电场对二氧化硅分子激发态的影响规律. 结果表明,随外电场强度增大,最高占据轨道与最低空轨道能隙变小,占据轨道的电子易于激发至空轨道. 因而在外场作用下分子易于激发. 关键词： 2')" href="#">SiO₂ 激发态 外电场     

线偏振光电位移矢量振动方向对InGaP/InGaAs/Ge三结太阳电池开路电压的影响

研究了线偏振光振动方向对InGaP/InGaAs/Ge三结太阳电池开路电压的影响, 结果表明开路电压随线偏振光电位移矢量振动方向按周期性变化,变化的幅度在 1%-4%左右.理论分析证实了线偏振光电位移矢量的调制可以改变太阳电池的输出开路电压,是由于三结太阳电池晶体结构以及应力影响导致能带结构出现各向异性产生的. 此外,实验结合理论分析,研究了三结太阳电池开路电压随光照度的变化关系, 得出开路电压随光强变化成对数关系.拟合结果说明三结级联太阳电池可以简单看成三个单结太阳电池串联,其理想因子接近6,是由于三结太阳电池中缺陷影响的结果.     

Solvent and electric field dependence of the photocurrent generation in donor：acceptor blend system

This paper reports that the blend films of poly (2-methoxy-5-(2'-ethyl-hexyloxy)-p-phenylene vinylene) (MEH-PPV) and N,N'-bis(1-ethylpropyl)-3,4: 9,10-perylene bis (tetracarboxyl diimide) (EP-PDI) with the weight ratio of 1:2.5 have been prepared by spin-coating from chloroform (CF) and chlorobenzene (CB) solutions respectively. The absorption spectra and the morphology of the blend films show that large crystal-like EP-PDI aggregates are formed in film prepared from CB solution, which corresponds to a new absorption shoulder near 590nm, while there is no shoulder around 590\,nm in the UV--Vis absorption spectra of the blend film from CF solution. The electric-field dependence spectra of the photocurrent generation quantum yield of the film from CB solution shows that at weak electric field the EP-PDI aggregates act as more efficient sensitizers, but at strong electric field the quantum yields become almost invariable over the entire spectral range no matter what the state of EP-PDI, monomer or aggregate. At strong electric field, the photocurrent generation yields of both films from CF and CB solution saturate and their yield spectra become spectrally similar, mentioning that at strong electric field the photoexcitons dissociate efficiently and the free charges are collected by the electrodes almost completely.     

The influence of electric field on the photodetachment of H- near a metal surface

The influence of electric field on the photodetachment of H-near a metal surface is investigated based on the closed-orbit theory.It is found that the photodetachment of H-near a metal surface is not only related to the electric field strength but also to the electric field direction.If the electric field is along the +z axis,it can strengthen the oscillation in the photodetachment cross section.However,if the electric field is along the -z axis,since the direction of electric field force is opposite to that of static-image force caused by the metal surface,the situation becomes much more complicated.When the electric field is very weak,its influence can be neglected.The photodetachment cross section is nearly the same as that when a single metal surface exists.When the electric field strength is strong enough,the electric field force is able to counteract the metallic attraction,therefore no closed orbit is formed.If the electric field continues to increase until its influence becomes dominant,the photodetachment cross section approaches the case of the photodetachment of H- in an electric field.Our results may be useful for guiding future experimental studies on the photodetachment of negative ions near surfaces.     

Oscillatory behaviour in the energy and nonlinear optical rectification spectra of elliptic quantum rings under electric field: influence of impurity and eccentricity

We have theoretically investigated the electronic properties and nonlinear optical rectification spectra of GaAs/AlGaAs anisotropic quantum ring, modelled by an outer ellipsis and an inner circle, in connection to the presence of a donor off-centre impurity, structural distortions and in-plane electric field. The one-electron energy spectrum and wave functions are found using the adiabatic approximation and the finite element method within the effective-mass model. The energy spectrum of concentric ring reveals an anomalous oscillatory behaviour in the region of relatively small values of the electric field (< 12?kV/cm) followed by linear Stark effect at higher field values. We showed that this unusual behaviour is strongly affected by the ratio of the outer/inner ring radii, the displacement of the inner circle (eccentricity) along the x or y axis and the impurity presence. The related nonlinear optical rectification spectra present maxima whose positions mirror this oscillatory behaviour and consequently can be used as an excellent tool to distinguish the presence of an impurity or the direction of the eccentricity.     

金属纳米椭球结构表面的局域电场和吸附分子分布

过渡金属纳米结构表面吸附CO分子时会出现异常红外效应,这一现象可以用纳米结构表面吸附分子在外电场作用下产生局部凝聚从而相互作用能增加来解释.在前期研究的基础上,给出金属基底表面生长出的纳米颗粒为椭球状颗粒的理论计算结果.基于均匀外电场中金属纳米椭球颗粒按一定对称性排列的表面结构模型,用经典电磁学理论计算了纳米椭球颗粒表面附近的局域电场.在此基础上,将吸附的CO分子等效为偶极子,在考虑了偶极子与局域电场、偶极子之间以及偶极子与金属基底三种相互作用的情况下,用Monte-Carlo方法进行数值模拟,最后给出纳 关键词： 金属纳米结构表面 纳米椭球 吸附分子 局域电场     

纤锌矿In_(0.19)Ga_(0.81)N/GaN量子阱中光学声子和内建电场对束缚极化子结合能的影响

用改进的Lee-Low-Pines变分方法研究纤锌矿In0.19Ga0.81N/GaN量子阱结构中束缚极化子能量和结合能等问题,给出基态结合能、不同支长波光学声子对能量和结合能的贡献随阱宽和杂质中心位置变化的数值结果.在数值计算中包括了该体系中声子频率的各向异性和内建电场对能量和结合能的影响、以及电子和杂质中心与长波光学声子的相互作用.研究结果表明,In0.19Ga0.81N/GaN量子阱材料中光学声子和内建电场对束缚极化子能量和结合能的贡献很大,它们都引起能量和结合能降低.结合能随着阱宽的增大而单调减小,窄阱中减小的速度快,而宽阱中减小的速度慢.不同支声子对能量和结合能的贡献随着阱宽的变化规律不同.没有内建电场时,窄阱中,定域声子贡献小于界面和半空间声子贡献,而宽阱中,定域声子贡献大于界面和半空间声子贡献.有内建电场时,定域声子贡献变小,而界面和半空间声子贡献变大,声子总贡献也有明显变化.在In0.19Ga0.81N/GaN量子阱中,光学声子对束缚极化子能量和结合能的贡献比GaAs/Al0.19Ga0.81As量子阱中的相应贡献(约3.2—1.8和1.6—0.3 meV)约大一个数量级.阱宽(d=8 nm)不变时,在In0.19Ga0.81N/GaN量子阱中结合能随着杂质中心位置Z0的变大而减小,并减小的速度变快.随着Z0的增大,界面和半空间光学声子对结合能的贡献缓慢减小,而定域光学声子的贡献缓慢增大.     

Tuning the phase separation in La_(0.325)Pr_(0.3)Ca_(0.375)MnO_3 using the electric double-layer field effect

Electric double-layer field effect experiments were performed on ultrathin films of La0.325Pr0.3Ca0.375MnO3, which is noted for its micrometer-scale phase separation. A clear change of resistance up to 220% was observed and the characteristic metal–insulator transition temperature TPwas also shifted. The changes of both the resistance and TPsuggest that the electric field induced not only tuning of the carrier density but also rebalancing of the phase separation states. The change of the charge-ordered insulating phase fraction was estimated to be temperature dependent, and a maximum of 16% was achieved in the phase separation regime. This tuning effect was partially irreversible, which might be due to an oxygen vacancy migration that is driven by the huge applied electric field.     

Built-in electric field effect on cyclotron mass of magnetopolarons in a wurtzite In_xGa_（1-x）N/GaN quantum well

The cyclotron mass of magnetopolarons in wurtzite In x Ga 1 x N/GaN quantum well is studied in the presence of an external magnetic field by using the Larsen perturbation method.The effects of the built-in electric field and different phonon modes including interface,confined and half-space phonon modes are considered in our calculation.The results for a zinc-blende quantum well are also given for comparison.It is found that the main contribution to the transition energy comes from half-space and interface phonon modes when the well width is very small while the confined modes play a more important role in a wider well due to the location of the electron wave function.As the well width increases,the cyclotron mass of magnetopolarons first increases to a maximum and then decreases either with or without the built-in electric field in the wurtzite structure and the built-in electric field slightly reduces the cyclotron mass.The variation of cyclotron mass in a zinc-blende structure is similar to that in a wurtzite structure.With the increase of external magnetic field,the cyclotron mass of polarons almost linearly increases.The cyclotron frequency of magnetopolarons is also discussed.     

真空绝缘子脉冲表面电场在线测量系统的实现

基于Kerr电光效应,建立了用以对纳秒脉冲高电压作用下的真空绝缘子表面电场进行在线测量的实验系统。该测量系统由快脉冲高电压源、YAG激光器、同步控制系统、被测中空薄壁绝缘子及Kerr效应单元、光学相位差检测系统等部分构成。利用YAG激光器输出的激光脉冲,触发导通快脉冲高压源中的高压气体开关,使其给被测绝缘子试品上施加一个脉宽100ns的高压脉冲方波。利用同步控制,使得探测激光在试品上的脉冲方波达到幅值后,入射到Kerr腔体中对Kerr效应进行探测。从而实现了对绝缘子表面电场的在线测量,并给出了初步的测量结果。     

Behaviour of nematic liquid crystals doped with ferroelectric nanoparticles in the presence of an electric field

A planar nematic liquid crystal cell (NLC) doped with spherical ferroelectric nanoparticles is considered. Polarisation of the nanoparticles are assumed to be along the NLC molecules parallel and antiparallel to the director with equal probability. The NLC molecules anchoring to the cell walls are considered to be strong, while soft anchoring at the nanoparticles surface is supposed. Behaviour of the NLC molecules and nanoparticles in the presence of a perpendicular electric field to the NLC cell is theoretically investigated. The electric field of the nanoparticles is taken into account in the calculations. Freedericksz transition (FT) threshold field in the presence of nanoparticles is found. Then, the director and particles reorientations for the electric fields larger than the threshold field are studied. Measuring the onset of the nanoparticles reorientation is proposed as a new method for the FT threshold measurement.     

外场下二甲基硅酮双自由基的从头计算研究

本文首先采用密度泛函(DFT)方法在6-311+g(2d,p)基组水平上计算研究了二甲基硅酮双自由基的红外振动光谱和核磁共振化学位移,而后在同样的基组水平上采用含时密度泛函(TDDFT)方法研究了外电场对二甲基硅酮双自由基的激发态、偶极矩和分子能量的影响,结果表明,不同方向的外加电场对他们的影响情况各不相同,沿X、Y方向的电场对激发态的激发能、振子强度影响在外加电场为0.005～0.010 a.u.是转折点,沿Z方向的电场在电场强度为0.015 a.u.是转折点.沿Y方向的外电场对分子的偶极矩、分子能量影响最大,沿X方向的外电场次之,沿Z方向的外电场对偶极矩和分子能量影响最小.     

LiF分子在外电场中的物理性质研究

本文采用量子力学从头算方法,运用密度泛函B3LYP方法在6-311基组水平上, 对不同外加电场(--0.15---0.15a.u.) 作用下LiF分子基态的稳定电子结构进行了计算,研究了外电场对LiF分子键长、能量、电荷分布、能级分布、能隙及红外光谱的影响规律.结果表明,随着Z方向外电场的增加,分子键长、偶极矩和能隙递增,原子电荷也递增,总能量降低, 频率及其红外强度递减, LiF基态分子势能曲线降低,离解能减小.     

Binding energy of the donor impurities in GaAs-Ga_(1-x)Al_xAs quantum well wires with Morse potential in the presence of electric and magnetic fields

The behavior of a donor in the GaAs–Ga_(1-x)Al_xAs quantum well wire represented by the Morse potential is examined within the framework of the effective-mass approximation. The donor binding energies are numerically calculated for with and without the electric and magnetic fields in order to show their influence on the binding energies. Moreover, how the donor binding energies change for the constant potential parameters(De, re, and a) as well as with the different values of the electric and magnetic field strengths is determined. It is found that the donor binding energy is highly dependent on the external electric and magnetic fields as well as parameters of the Morse potential.     

Influence of spin-orbit coupling induced by in-plane external electric field on the intrinsic spin-Hall effect in a Rashba two-dimensional electron gas

We study theoretically the influence of spin--orbit coupling induced by in-plane external electric field on the intrinsic spin-Hall effect in a two-dimensional electron gas with Rashba spin--orbit coupling. We show that, after such an influence is taken into account, the static intrinsic spin-Hall effect can be stabilized in a disordered Rashba two-dimensional electron gas, and the static intrinsic spin-Hall conductivity shall exhibit some interesting characteristics as conceived in some original theoretical proposals.