Semiconductor nanocylindrical layer in a strong electric field: Spectrum of carriers and intraband transitions

The single-electron states in a quantized cylindrical layer in the presence of a strong homogeneous electric field have been considered in the isotropic effective mass approximation. The energy spectrum and the envelope wave functions of charge carriers in the layer have been obtained in the explicit form. It has been shown that a strong external electric field leads to an additional localization of carriers in their angular motion. The corresponding selection rules have been derived, and the absorption band of intraband-intersubband optical transitions in the layer has been calculated.     

Quantum-confined Stark effect and intraband transitions in a semiconductor spherical layer

The effect of an external homogeneous electric field on the states of charge carriers in a size-quantized spherical layer is considered. An explicit dependence of the energy shift on the external field strength and the geometric sizes of the sample is obtained, and the electro-optical absorption coefficient for intraband dipole transitions is calculated.     

Simultaneous Effects of External Electric Field and Conduction Band Nonparabolicity on Optical Properties of a GaAs Quantum Dot Embedded at the Center of a GaAlAs Nano-Wire

An investigation of the optical properties of a GaAs spherical quantum dot which is located at the center of a Ga1-xAlx As cylindrical nano-wire has been performed in the presence of an external electric field. The band nonparabolieity effect is also considered using the energy dependent effective mass approximation. The energy eigenvalues and corresponding wave functions are calculated by finite difference approximation and the reliability of calculated wave functions is checked by computing orthogonality. Using computed energy eigenvalues and wave functions, the linear, third-order nonlinear and total optical absorption coefficients and refractive index changes are examined in detail. It is found that （i） Presence of electric field causes both blue and red shifts in absorption spectrum; （ii） The absorption coefficients shift toward lower energies by taking into account the conduction band nonparabolicity; （iii） For large values of electric field the effect of conduction band nonparabolieity is less dominant and parabolic band is estimated correctly; （iv） In the presence of electric field and conduction band nonparabolicity the nonlinear term of absorption coefficient rapidly increases by increasing incident optical intensity. In other words, the saturation in optical spectrum occurs at lower incident optical intensities.     

Optical absorption in a narrow-band InSb cylindrical layered nanowire in the presence of strong electrostatic field

On the example of InSb we consider the influence of a strong homogeneous electrostatic field on the state of carriers in a narrow-band quantized cylindrical layer in the case of Kaine dispersion law. Explicit expressions for the energy spectrum and wave function envelopes of charge carriers in the heterolayer are obtained. It is shown that under action of the strong external field the rotational motion, with respect to angular variables, of charge carriers becomes oscillatory in a narrow cone of the azimuth angle. We have obtained corresponding selection rules and calculated the threshold frequencies of absorption for interband and intraband electro-optical transitions in the layer. The threshold frequencies are determined by the geometric sizes of the sample and the magnitude of the external field.     

电场诱导水的太赫兹透射特性研究

许多生物分子自身的转动、振动或分子团的整体振动模式都位于太赫兹波段内,因此可以利用太赫兹光谱技术对生物分子进行检测。同时又由于太赫兹波的光子能量仅为毫电子伏量级,不会对分子的内部结构造成破坏,所以太赫兹时域光谱技术在生物检测方面具有良好的应用前景。众所周知,绝大多数的生物分子只有在液体条件下才能发挥其生物活性,所以研究液体环境下生物分子之间的相互作用就非常必要。然而水分子的转动模式、振动模式以及和氢键有关的能量均处于太赫兹波段,从而对其产生强烈的吸收;另外,水分子为极性分子,而极性分子对太赫兹波有强烈的共振吸收,这就使利用太赫兹技术对生物分子活性进行动态表征产生了困难。因此在研究溶液中的生物分子与太赫兹波的相互作用时,最大限度地减小水分子对太赫兹波的吸收就成为近年来的研究热点。目前,减少水对太赫兹波吸收的主要方法有：在溶液样品中加入抑制氢键缔合的离子来减小水对太赫兹的吸收;通过改变溶液的温度来调节水对太赫兹的吸收;利用微流控芯片技术,通过减小被测样品与太赫兹波的作用距离来减小水对太赫兹波的吸收。另外,激光的激励、电场或磁场的处理,也能改变水对太赫兹波的吸收,将盛有去离子水的微流控芯片放于电场中,研究经电场处理不同时间的去离子水对太赫兹吸收强度的影响。结果发现,太赫兹波的透射强度随着去离子水在电场当中静置时间的增加而增强,当在电场中静置60 min时,太赫兹的频谱强度达到最大,与空气的频谱强度接近。由此可以推断外加电场使水分子的偶极矩发生了变化,从而对整体水分子的振动和转动产生了影响,并且改变了水中的氢键结构,导致了太赫兹透射光谱强度的增强。     

Studying the charge carrier properties in CuInS_2 films via femtosecond transient absorption and nanosecond transient photocurrents

The carrier behavior in CuInS_2 thin films at femtosecond and microsecond time scales is discussed in detail. Transient absorption data suggests that the photo-generated carriers relax rapidly accompanied by a change in energy. The photogenerated charge carriers are extracted by a bias electric field E in the nanosecond transient photocurrent system. An applied E improves the efficiency of photon conversion to charge carriers and enhances the velocity of the extracted charge carriers. In addition, there exists a threshold of illumination intensity in the extraction process of charge carriers in the CuInS_2 thin film, above which carrier recombination occurs. The corresponding loss further increases with illumination intensity and the recombination rate is almost independent of E. Our results provide useful insights into the characteristics of carriers in the CuInS_2 thin film and are important for the operation of optoelectronic devices realized with these films.     

D.c. drift and hot carrier effects on E.M. wave propagation in a current carrying bismuth2

This paper presents an investigation of d.c. drift and hot carrier effects on electromagnetic wave propagation in current carrying bismuth when the directions of the d.c. electric field, static magnetic field and of the propagation of waves are all along the trigonal axis. The anisotropic band structure and mass tensor of carriers have been taken into account. A generalised dispersion relation has been derived for a bismuth sample with arbitrary compensation. The enhanced heating of the carriers with a d.c. electric field causes a progressive decrease in the refractive index and the absorption coefficient; this effect is more pronounced in the case of upper band microwaves. The heating of the electrons is reduced by the presence of a static magnetic field while that of the holes is unchanged. The hot carrier effects in Faraday rotation and ellipticity for high frequency waves in bismuth have also been investigated.     

Electron and hole states in a narrow-band semiconductor InSb film in the presence of uniform electrostatic field

The states of charge carriers in a narrow-gap semiconductor InSb film, placed in a uniform electrostatic field, are considered theoretically. We consider the case when the heavy holes are described by the standard dispersion, and Kane’s dispersion law takes place for electrons and for light holes within the framework of two-band mirror model. For a certain range of values of the external field, explicit expressions for the energy spectrum and the envelope wave functions of charge carriers are obtained. Corresponding numerical estimations of allowed range of the external field are derived, for which the proposed approach allows exact analytical solutions.     

电场调控双层石墨烯纳米带的电子结构和光学性质

利用基于密度泛函理论的第一性原理方法,研究了外加电场作用下双层AA堆垛的Armchair边缘石墨烯纳米带(BAGNRs)的电子结构和光学性质. BAGNRs具有半导体特性,其带隙随带宽(宽度为4～12个碳原子)的增加而振荡性减小.当施加电场后,BAGNRs的带隙随着电场强度的增加而逐渐减小,带隙越大对电场值的变化越敏感.当电场值为0.5 V/?时,所有BAGNRs的带隙都为零. BAGNRs具有各向异性的光学性质,其介电函数在垂直极化方向为半导体特性,而在平行极化方向为金属特性.在外加电场的作用下,BAGNRs的介电函数、吸收系数、折射系数、反射系数、电子能量损失系数和光电导率,其峰值向低能量区域移动,即产生红移现象.电场增强了能带间的跃迁几率.纳米带宽度对这些光学性质参数具有不同程度的影响.研究结果解释了电场调控BAGNRs光学性质的规律和微观机理.     

基于密度泛函理论的外电场下C_3F_8微观特性的研究

全氟丙烷(C_3F_8)作为一种拥有较低温室效应的SF_6替代气体,被国内外学者广泛研究.为了从分子层面上揭示全氟丙烷在外电场作用下微观特性的变化情况,采用密度泛函理论中的M06-2X方法,在6-31G(d)基组水平上优化得到了C_3F_8的基态稳定构型.分析了不同外电场(0-0.020 a.u.)对C_3F_8分子的结构、Highest Occupied Molecular(HOMO)、Lowest Unoccupied Molecular(LUMO)、能隙、键级的影响,并研究了全氟丙烷分子的激发态能、波长、振子强度.结果表明,在所加电场范围内,随着电场强度的增大,C_3F_8分子最高占据轨道能级逐渐增大,最低空轨道能级逐渐减小,能隙E_G逐渐减小, C_3F_8分子的化学活性增强;C_3F_8分子中的C-C键的Mayer Bond Order (MBO)值随电场强度的增大均出现增大的情况,分子的稳定性降低;C_3F_8分子激发态的激发能总体上呈现出减小的趋势,激发态的波长总体上则呈现出增大的趋势,表明在外电场的作用下,全氟丙烷分子变得越来越容易激发.     

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.     

基于密度泛函理论的C_(24)H_(38)O_4分子外场效应研究

各种环境毒物危害着人类的健康,塑化剂更是破坏了食品安全.为研究外电场对塑化剂主要成分之一C_(24)H_(38)O_4(邻苯二甲酸二辛酯,dioctyl phthalate,DOP)的影响,采用密度泛函理论B3LYP方法在6-311G(d,p)基组水平上优化了不同静电场0—0.0125 a.u.(0—6.4278×10~9 V/m)作用下DOP分子的基态几何结构,在此基础上利用同样的方法计算了DOP分子的电偶极矩和分子总能量,最后利用含时密度泛函理论在同一基组下研究了不同外电场对DOP分子紫外-可见(UV-vis)吸收光谱产生的影响,并与实验测得的光谱图进行了比较.结果表明:分子几何构型与电场大小呈现强烈的依赖关系,分子偶极矩随着外电场的增强先减小后增加,而分子总能量随着外电场的增强先增加而后急剧减小;DOP分子激发态的振子强度随着外电场的增强而减小,UV-vis吸收峰显著红移.     

Photovoltaic properties of a heterojunction based on copper phthalocyanine films on the surface of polycrystalline cadmium sulfide

The photovoltaic effect has been detected and studied in thin-film structures based on thermally deposited 200-nm-thick copper phthalocyanine (CuPc) films on the surface of polycrystalline CdS. The structures under study demonstrate the linear current-voltage characteristics at external electric fields to 3.5 × 10⁴ V/cm. Two components of the photovoltage of different signs have been revealed when the sample is illuminated in the wavelength range from 350 to 700 nm. The first component has the positive sign on the CuPc film side and is observed when using the radiation with a wavelength lesser than 500 nm, i.e., in conditions of predominant absorption of the radiation in the CdS layer. The second component has the negative sign on the CuPc film side and is observed when using the radiation with a wavelength in the range from 500 to 570 nm, corresponding to the spectral region of the absorption edge of the CuPc films. The dependences of the photovoltage on the radiation intensity studied in the range from 5 × 10¹² to 10¹⁴ photons cm^?2 s^?1 are different in the cases of the two detected components. Mechanisms of generation of the photovoltage components associated with a change in the band bending during photogeneration of charge carriers in the region of space charge in CdS and a change in conditions of the charge transfer in the interfacial CuPc/CdS region during the radiation absorption in the CuPc film have been proposed.     

三氯一氟甲烷分子在辐射场中的光谱性质与解离特性研究

采用B3LYP/6-311++g(3df,3pd)方法和基组对氟利昂物质CFC-11 (CFCl_3)分子进行了一系列的理论研究.包括了该分子的基态结构、电偶极矩、总能量、最高占据分子轨道能级E_H和最低未占据分子轨道能级E_L、能隙、红外与拉曼光谱性质、C-F键解离,并探讨电场对该分子的影响.结果表明:基态结构优化后的理论计算值和实验值的最大误差低于2%,C-F键受电场强度的增大而被拉长,能隙E_g随E_H和E_L的变化出现先增大后减小;电场影响着CFC-11分子的红外与拉曼光谱吸收强度,红外与拉曼光谱随着电场变化出现红移或蓝移现象.电场可作为一种辅助手段对其重叠或准重叠谱线进行分离.势阱深度随反向电场逐渐增大而减小,直至消失,使得C-F键的束缚能力逐渐减弱.本文有望为实现CFC-11分子最终发生解离而降解提供一种可行有效的调控手段.     

Optical polarization of nuclei and ODNMR in GaAs/AlGaAs quantum wells

Optical orientation of electrons was used to polarize the crystal lattice nuclei in quantum-size heterostructures and to study the effect of the conduction band spin splitting on the spin states of quasi-two-dimensional (2D) electrons drifting in an external electric field. High (～1%) nuclear polarization was registered using polarized luminescence and ODNMR in single GaAs/AlGaAs quantum wells. Measurement was made of the hyperfine interaction fields created by polarized nuclei on electrons and by electrons on nuclei. The spin-lattice relaxation of nuclei on the non-degenerate 2D electron gas was calculated. A comparison of the theoretical and experimental longitudinal relaxation times permitted the conclusion that the localized charge carriers are responsible for nuclear polarization in quantum wells in the temperature range of 2–77 K. A new effect has been studied, i.e. induction of an effective magnetic field acting on 2D electron spins when electrons drift in an external electric field in the quantum well plane. This effective field B_eff is due to the spin splitting of the conduction band of 2D electrons. The paper discusses possible registration of an ODNMR signal when the field B_eff is modulated by an electric current during optical orientation.     

垂直电场下扭转双层石墨烯光学吸收性质的理论研究

层间扭转角度是对石墨烯物理性质宽波段可调谐的一个新参量.本文采用2°<θ<15°扭转角度下的连续近似模型,获得了不同扭转角度双层石墨烯分别在有、无电场下的能带结构,通过电子-光子相互作用跃迁速率,计算模拟了范霍夫奇点附近电子带内跃迁和带间跃迁所引起的光学吸收谱.结果表明,在无外加电场时,带间跃迁吸收峰的位置随着扭转角度的增大而发生从红外到可见光波段的蓝移,且吸收系数增大,带内跃迁的光学吸收系数相对于带间跃迁高出2个数量级;而存在外加电场时,两个范霍夫奇点在波矢空间的位置发生偏移,带间跃迁吸收峰发生分裂,且两个分裂的吸收峰位置随着电场强度的不断增大而反向行进.上述研究结果对石墨烯材料在光电器件方面的应用有一定指导作用.     

Charge-carrier dynamics in polythiophene films studied by in-situ measurement of flash-photolysis time-resolved microwave conductivity (FP-TRMC) and transient optical spectroscopy (TOS)

An in-situ measurement system for flash-photolysis time-resolved microwave conductivity (FP-TRMC) and transient optical spectroscopy (TOS) has been developed to perform simultaneous measurements of photo-induced changes in conductivity and charge-carrier density in an organic thin film. The electric field in the resonant cavity designed for the present system was analysed by electrostatic simulation. Using the present system and the simulated electric field, the photoconductivity and transient absorption in a regioregular poly(3-hexyl thiophene) film were measured using one particular geometry under photon excitation energies of 6.39, 4.98, 3.48, and 2.34?eV. The dynamics of photogenerated charge carriers is discussed in terms of the excitation energy and incident photon intensity. The transient absorption spectrum induced by 3.48?eV light is presented and compared with the TRMC transient.     

载流子在金属/聚对苯乙炔/金属结构中注入及输运的动力学研究

采用紧束缚的Su-Schrieffer-Heeger模型,利用非绝热动力学方法研究了载流子在金属/聚对苯乙炔(poly(p-phenylene vinylene,简记为PPV))/金属三明治结构中注入与输运的动力学过程.发现由于强的电子-晶格相互作用,注入的电荷在PPV链中形成波包,波包的形成与施加在金属电极上的偏压、PPV链上的电场强度及金属电极与PPV之间的界面耦合强度密切相关.在无外电场的情况下,当偏压达到临界值时电荷能够从金属电极注入到PPV链中并形成波包.随着电场强度的增大,波包能 关键词： 金属/聚对苯乙炔/金属结构 载流子输运 波包     

An X-ray absorption study of the electric field effect mechanism in “123” cuprates

X-ray absorption spectroscopy in the presence of an electric field has been used to study the doping mechanism of the CuO₂ planes in Nd_1+xBa_2-xCu₃O₇ compounds. The electric field effect doping is well-known as a method to modify the electrical properties of a thin film using an external gate voltage and in the copper based high critical temperature superconductors (HTS), it has been used to shift the critical temperature and even to induce phase transitions. Field effect experiments in ultra-thin HTS are usually interpreted by supposing that the induced charges develop into carriers in the CuO₂ conducting planes, thus changing the filling of the Zhang-Rice (ZR) band. Here we show that the polarization charges in both insulating and superconducting films, are mainly confined in the charge reservoir, and in particular in the CuO chains. The characteristics of the charge reservoir layer determine the doping of the CuO₂ planes, achieved by transfer of a fraction of the total injected charges. Moreover we found that holes injection in the CuO₂ planes is reduced in oxygen deficient NdBCO films.     

The investigation of transport properties of mesoscopic graphite in high magnetic field

The electrical transport properties of mesoscopic graphite have been investigated in a gate voltage configuration. Few layer graphene structures made from Kish graphite exhibit Shubnikov-de Haas (SdH) oscillations in magnetic fields up to 33 T, with a strong gate voltage dependence. A two band model can be used to explain the linear dependence of the SdH frequency on the gate voltage. The temperature dependence of the SdH oscillation amplitude allows the determination of the effective masses of the carriers, which remain comparable between mesoscopic and bulk graphite samples. However, mesoscopic graphite thinner than 130 nm does not exhibit the field induced charge density wave transition seen in bulk samples above 25 T at low temperatures.