Dynamical study on charge injection and transport in a metal/polythiophene/metal structure

The dynamical process of charge injection from metal electrode to a nondegenerate polymer in a metal/polythiophene （PT）/metal structure has been investigated by using a nonadiabatic dynamic approach. It is found that the injected charges form wave packets due to the strong electron-lattice interaction in PT. We demonstrate that the dynamical formation of the wave packet sensitively depends on the strength of applied voltage, the electric field, and the contact between PT and electrode. At a strength of the electric field more than 3.0 × 10^4 V/cm, the carriers can be ejected from the PT into the right electrode. At an electric field more than 3.0 × 10^5 V/cm, the wave packet cannot form while it moves rapidly to the right PT/metal interface. It is shown that the ejected quantity of charge is noninteger.     

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     

Injection and transport of electric charge in a metal/copolymer structure

The dynamical processes of the electric charge injection and transport from a metal electrode to the copolymer are investigated by using a nonadiabatic dynamic approach. The simulations are performed within the framework of an extended version of the one-dimensional Su-Schrieffer-Heeger (SSH) tight-binding model. It is found that the electric charge can be injected into the copolymer by increasing the applied voltage. For different structures of the copolymer, the critical voltage biases are different and the motion of the injected electric charge in the copolymer varies obviously. For the copolymer with a barrier-well-barrier configuration, the injected electric charge forms a wave packet due to the strong electron-lattice interaction in the barrier, then comes into the well and will be confined in it under a weak electric field. Under a medium electric field, the electric charge can go across the interface of two homopolymers and enter into the other potential barrier. For the copolymer with a well-barrier-well configuration, only under strong enough electric field can the electric charge transfer from the potential well into the barrier and ultimately reach a dynamic balance.     

Effect of interaction between AC electric field and phonon oscillation of metal cluster on tip-growth of carbon nanotube

The paper reports effect of interaction between AC electric field and metal cluster sitting at tip end of the carbon nanotube (CNT) on CNT tip-growth in CVD theoretically. For this purpose, a theoretical model based on phonon oscillations of the metal catalyst and influence of AC electric field on these oscillations is presented. Results show that there is an optimum AC electric field which optimizes growth of ultra-long CNTs. Then it is demonstrated that, in comparison with CNTs in the absence of field, CNTs under optimum electric field grow more. In addition, relation between optimum temperature and amplitude of AC electric field is investigated and it is shown that increasing electric field leads to higher optimum temperature. Finally, Investigation of effect of catalyst type on optimum electric field demonstrates the optimum field for various catalysts is different due to their different characteristics including van der Waals interaction with carbon, atomic mass and number of free charge carriers per each atom. All results are discussed and interpreted.     

分子激发中的表面等离激元增强效应

金属纳米粒子的表面等离激元增强效应是纳米科学领域的一个研究热点.针对染料分子与金属纳米粒子的耦合系统,应用偶极-偶极近似计算分子与金属纳米粒子的库仑相互作用,并应用密度矩阵理论描述在不同极化方向的电场作用下的电荷输运过程,分析了分子与金属纳米粒子在不同相对位置下分子激发态的动力学过程,发现表面等离激元的增强效应与分子和金属钠米粒子的相对位置以及等离激元的耗散系数有密切关系,详细讨论了分子与金属纳米粒子间的耦合强度、外场的极化方向、等离激元的寿命及共振激发条件对分子激发态及表面等离激元增强的影响,分析了分子-金属纳米粒子耦合系统中表面等离激元增强效应的物理本质.     

Formation dynamics of bipolaron in a metal/polymer/metal structure

Charge injection process from metal electrode to a nondegenerate polymer in a metal/ polymer/ metal structure has been investigated by using a nonadiabatic dynamic method. We demonstrate that the dynamical formation of a bipolaron sensitively depends on the strength of applied electric field, the work function of metal electrode, and the contact between the polymer and the electrode. For a given bias applied to one of the electrode (V₀) and coupling between the electrode and the polymer (t^′), such as V₀=0.79 eV and t^′=1 eV, the charge injection process depending on the electric field can be divided into the following three cases: (1) in the absence of the electric field, only one electron tunnels into the polymer to form a polaron near the middle of the polymer chain; (2) at low electric fields, two electrons transfer into the polymer chain to form a bipolaron; (3) at higher electric fields, bipolaron can not be formed in the polymer chain, electrons are transferred from the left electrode to right electrode through the polymer one by one accompanying with small irregular lattice deformations.     

Multiphonon absorption of light in quantum-well systems in uniform electric and magnetic fields

The effect of a transverse electric field on the multiphonon absorption of light in quantum-well systems in a uniform magnetic field aligned parallel to the spatial quantization axis is investigated. It is shown that, when the interaction of an electron with long-wavelength vibrations is taken into account, the half-width of the absorption line does not depend on the electric-field vector E. As the electric field strength increases, the maximum of the light absorption shifts toward the long-wavelength range and decreases. The effect of the electric field on the shape of the zero-phonon line and first vibrational satellites is analyzed with due regard for the interaction of charge carriers with optical phonons. It is demonstrated in particular that the half-width of the zero-phonon line substantially depends on the electric-field vector E and can reach several millielectron-volts at the electric field strength E = 2 × 10⁴ V/cm.     

Electric Field Analysis of Space Charge Injection from a Conductive Nano-Filler Electrode

A simulation on the electric field distribution near the electrode is proposed to explain the reason for using nanosized carbon black mixed with ethylene vinyl acetate, as the electrode could lead to more charge injection into the polymer than using a deposited metal electrode. The electrode is simplified to a layer of conductive semi-spheres with fixed size and constant electric potential. By using the finite element method, it is found that both the size of the semi-spheres and the distance between adjacent semi-spheres could dramatically influence the electric field near the surface of the spheres; these are considered to be the two decisive factors for the charge injecting rate at electrodes of various materials.     

STM针尖和外电场在Si(111)-7×7表面单原子操纵中的作用

利用第一性原理的离散变分局域密度泛函方法,采用团簇模型（Si₃₄H₃₆-W₁₁)来模拟STM操纵Si(111)-7×7表面顶角吸附原子的过程．通过分析在进行原子操纵过程中体系的能量与电子云密度分布来研究针尖和外电场的作用．结果表明,当针尖与样品间距离较近时,利用两者间有较强的相互作用,能有效地降低脱出能的能垒高度．外电场对体系脱出能的影响与其大小及极性有关,当样品上所加正偏压增强时,脱出能曲线高度单调下降,而外电场极性为负时,反而稍有增高．仅考虑针尖和样品之间的静态电子相互作用及静电场的作用,尚不能使被操纵原子脱离样品表面．最后讨论了在Si(111)-7×7表面上进行原子操纵的其他机理.     

Formation of adsorbate structures induced by external electric field in plasma-condensate systems

We present a new model of plasma-condensate system, by taking into account an anisotropy of transference reactions of adatoms between neighbor layers of multi-layer system, caused by the strength of the electric field near substrate. We discuss an influence of the strength of the electric field onto first-order phase transitions and conditions for adsorbate patterning in plasma-condensate systems. It is shown that separated pyramidal-like multi-layer adsorbate islands can be formed in the plasma-condensate system if the strength of the electric field near substrate becomes larger tan the critical value, which depends on the interaction energy of adsorbate and adsorption coefficient.     

Charge Injection and Transport in Metal/Polymer Chains/Metal Sandwich Structure

Using the tight-binding Su--Schrieffer--Heeger model and a nonadiabatic dynamic evolution method, we study the dynamic processes of the charge injection and transport in a metal/two coupled conjugated polymer chains/metal structure. It is found that the charge interchain transport is determined by the strength of the electric field and the magnitude of the voltage bias applied on the metal electrode. The stronger electric field and the larger voltage bias are both in favour of the charge interchain transport.     

Electronic states at junctions of molecular semiconductors

We consider properties of junctions for the field effect transistors (FET) geometry where molecular crystals or conducting polymers are used as semiconducting layers. In the molecular crystal Coulomb interaction of free electrons with surface polar phonons of the dielectric layer can lead to self-trapping of carriers and to the formation of a strongly coupled long-range surface polaron. The effect is further enhanced in presence of the bias electric field and strongly depends on the gate dielectric used.In conducting polymers instead of the usual band bending near the contact interface, new allowed electronic bands appear inside the band gap. As a result the bias electric field and the injected charge penetrate into the polymer via creation of the soliton lattice whose period changes with the distance from the contact surface. The current through the contact is performed via moving solitons.     

一切电磁感应都取决于金属电子受洛伦兹磁场力

研究表明:一切电磁感应的计算都取决于金属电子受洛伦兹磁场力的导线形状,却不取决于磁通量变化率对微分变量进行的旋度运算;特别是基于电子论证明了楞茨圆形线圈上的圆形电流及其围绕圆形线圈的流动电荷携带了圆形流动电场;基于电子论否定了法拉第磁通量变化率产生的电动势及其旋度电场。     

Kinetics of thermalization of electric charge carriers in organic molecular semiconductors in strong electric fields

The kinetics of photogeneration of electric charge carriers in organic molecular semiconductors in strong electric fields is investigated within a theoretical model that includes the diffusion-drift mechanism of motion of electric charge carriers. In the framework of the proposed model, it is established that the time dependence of the probability of dissociation of a geminal pair exhibits an exponential behavior. The time constant strongly depends on the electric charge carrier hopping distance and the external electric field strength in accordance with the experimental data.     

A Self-Organised Bilocal Magnetic Field in the Electron Plasma of Metals

Within the simplest model of metals, namely a gas of electrons with Coulomb interactions, in the presence of a uniform background of positive charge to enforce electric neutrality of the system, we have derived a mechanism by which the Coulomb interaction between the electrons generates a new kind of magnetism. The ground state of the metal is represented by a magnetically ordered state described by a non-local magnetic field. This non-local magnetic field does not produce spin polarisation of electrons, but induces a special long range correlation between electrons of opposite spin. This mechanism results in a theoretical value for the binding energy per electron, which is lower than the corresponding value for the unmagnetised state of the metal. The new magnetic order, proposed and analysed theoretically here, can in principle be experimentally tested.     

Space-charge gratings in photorefractive crystals controlled by an external variable electric field

Specific features of space-charge gratings excited in photorefractive crystals in the presence of an external variable electric field that exhibits power-law time dependence are studied. It is demonstrated that the process under study substantially depends on a parameter of an increase in the external electric field over a time interval that corresponds to the generation of space-charge gratings in the absence of the field. At a relatively small parameter, the charge can be increased in accordance with variations in the field, charge oscillations with increasing amplitude can be induced, and identical excitation of the gratings can be maintained. At a relatively large parameter, the charge of the gratings is proportional to the time of external action, so that the charge can be controlled using external variable electric field.     

Plasma Polarization Around Dust Particle in an External Electric Field

The effect of plasma polarization around a negatively charged dust particle is investigated with the help of Monte Carlo simulation of ion trajectories in the electric field of the dust particle and an external electric field. The induced dipole moment of such a system was estimated in a wide range of dust particle and plasma parameters. It is shown that the dipole moment is very large, and has a non‐monotonous dependence on the external electric field. For a small external electric field, it weakly depends on the charge of the dust particle. The dipole moment reduces with the decrease of ion mean free path (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Dynamical Processes on Complex Networks,by A. Barrat,M. Barthélemy and A. Vespignani

The present state of theory and experiment on the gravity-induced electric field in metallic conductors and the electric field in accelerated metal conductors is reviewed. The relevant equations are derived in very simple approximations. The results depend on whether the deformation of the lattice of positive ions is neglected or is taken into account. Experimental results obtained with freely falling electrons in a cavity in the metal do not agree with the measurements of potentials on rapidly spinning metal rotors. Older direct measurements of the specific charge of carriers in metallic conductors are also mentioned.     

Effect of electric field on diffusion in disordered materials

The effect of electric field on diffusion of charge carriers in disordered materials is studied by Monte Carlo computer simulations and analytical calculations. It is shown how an electric field enhances the diffusion coefficient in the hopping transport mode. The enhancement essentially depends on the temperature and on the energy scale of the disorder potential. It is shown that in one‐dimensional hopping the diffusion coefficient depends linearly on the electric field, while for hopping in three dimensions the dependence is quadratic.     

Microscopic view of charge injection in an organic semiconductor

We have measured the chemical potential and capacitance in a disordered organic semiconductor by electric force microscopy, following the electric field and interfacial charge density microscopically as the semiconductor undergoes a transition from Ohmic to space-charge limited conduction. Electric field and charge density at the metal-organic interface are inferred from the chemical potential and current. The charge density at this interface increases with electric field much faster than is predicted by the standard diffusion-limited thermionic emission theories.