共轭高分子链中大极化子与小极化子的弹性碰撞

基于Su-Schrieffer-Heeger(SSH)模型,考虑电子-电子相互作用,以及在哈密顿量中引入Brazovskii-Kivova对称破缺项,采用动力学演化的方法研究了在外电场作用下共轭高聚物分子链中大极化子与小极化子之间的弹性散射过程.研究发现,载流子的载荷性质不但决定大小极化子之间的相互作用性质,也深刻地影响了其发生散射后的载流子输运性质.在较低电场的作用下,当两载流子电性相同时,发生碰撞后,小极化子将推动着大极化子一起运动;而当两者电性相反时,碰撞后,大极化子将拖曳着小极化子一起运动.当电场强度超过临界值时,将产生量子隧穿效应,即,大小极化子相互迅速穿透,且不受载流子的载荷影响.     

Electron-phonon interaction in cylindrical and planar quantum wires

Within the framework of the Feynman variational method the bipolaron binding energy and the bipolaron effective mass in cylindrical and planar quantum wires with ‘parabolic’ confinement are calculated. An analogy is found between the effects due to strong confinement and those due to the application of a strong magnetic field. Strengthening the confinement leads to an enlargement of the bipolaron stability region.     

Hartree-Fock approximation of bipolaron state in quantum dots and wires

The bipolaronic ground state of two electrons in a spherical quantum dot or a quantum wire with parabolic boundaries is studied in the strong electron-phonon coupling regime. We introduce a variational wave function that can conveniently conform to represent alternative ground state configurations of the two electrons, namely, the bipolaronic bound state, the state of two individual polarons, and two nearby interacting polarons confined by the external potential. In the bipolaron state the electrons are found to be separated by a finite distance about a polaron size. We present the formation and stability criteria of bipolaronic phase in confined media. It is shown that the quantum dot confinement extends the domain of stability of the bipolaronic bound state of two electrons as compared to the bulk geometry, whereas the quantum wire geometry aggravates the formation of stable bipolarons.     

基态非简并聚合物中的极化子和双极化子的动力学(Ⅰ)--弱电场下研究

文中模拟了在基态非简并聚合物中的极化子和双极化子在弱电场中的运动,研究了在不同简并参数的系统中极化子和双极化子的动力学稳定性,发现在同一个系统中,双极化子比极化子的运动速度慢,晶格振荡小; 在简并参数大的系统中,极化子和双极化子的运动速度都变慢.极化子和双极化子在弱电场下都存在饱和速度,达到饱和速度后, 电场的能量发生了转换.     

Effects of the magneto-crystalline anisotropy on the magnetic properties of Fe/Cr/Fe (110) trilayer

Using a variational procedure based on Lee-Low-Pines and Huybrechts canonical transformations, we study the stability region of two-dimensional bipolarons confined in a parabolic quantum dot, subject to a uniform magnetic field. In the framework of our approach, we calculate the ground-state energy for two-dimensional magnetobipolarons, together with the free polaron ground-state energy, by performing a self consistent calculation. We then obtain the binding energy for two-dimensional magnetobipolarons, in the usual way, to explore the properties of bipolaron formation in two-dimensional quantum dot structures. The stability region is found to be very sensitive to the confinement length of the parabolic potential and to the magnetic field strength, as well as to the material parameters and . The stability region is also found to be remarkably enhanced by increasing the degree of spatial confinement and magnetic field. Our results are both in qualitative and quantitative agreement with those found in the literature.Received: 11 December 2003, Published online: 9 April 2004PACS: 71.38.Fp Large or Fröhlich polarons - 63.20.Kr Phonon-electron and phonon-phonon interactions     

抛物形量子点中弱耦合极化子的性质

采用线性组合算符和幺正变换方法研究了抛物形量子点中弱耦合极化子的基态能量和束缚能。计算结果表明,基态能量和束缚能随有效束缚强度增加而减小。随着有效束缚强度逐渐加大,最后逐渐趋于体结构极化子的基态能量。当有效束缚强度给定,基态能随电子-体纵光学声子耦合强度增加而减小。由于有效束缚强度与量子点受限强度平方根成反比,所以量子点受限越强,基态能和束缚能越大,电子-体纵光学声子耦合强度的变化对量子点的影响越小。当量子点受限变弱时,电子-体纵光学声子耦合强度变化对量子点的影响变大。所以在量子点弱受限区域,极化子对量子点的影响不容忽略。     

Strong Electron-Phonon Interaction Effect in Quantum Dots

Strong-coupling polaron in a parabolic quantum dot is investigated by the Landau-Pekar variational treatment. The polaron binding energy and the average number of virtual phonons around the electron as a function of the effective confinement length of the quantum dot are obtained in Gaussian function approximation. It is shown that both the polaron binding energy and the average number of virtual phonons around the electron decrease with increasing the effective confinement length. The results indicate that the polaronic effects are more pronounced in quantum dots than those in two-dimensional and three-dimensional cases.     

电场中非对称高斯势量子点内极化子量子跃迁的厚度效应

计及量子点厚度下,分别选取抛物势和高斯势描写盘型量子点中电子的横向束缚势和纵向束缚势,采用Pekar类型变分法推导出量子点中极化子的基态和第一激发态能量本征值和本征函数,以此为基础,构造了一个二能级结构,并基于二能级体系理论,讨论了极化子在外电场作用下的量子跃迁问题。结果表明,高斯束缚势比抛物束缚势更能精准反映量子点中真实的束缚势;量子点的厚度对极化子的跃迁几率Q所带来的影响有趣且有实际意义,不可忽略;电声耦合强度α、电场强度F、非对称高斯势的势垒高度V₀和束缚范围L等对极化子的基态与第一激发态能量以及量子跃迁的影响显著;本文的结果有助于探讨利用这些物理量来调控量子点的输运特性和光学性质的途径和方法。     

非对称量子点中弱耦合极化子的相互作用能

采用改进的线性组合算符和幺正变换方法,研究非对称量子点中弱耦合极化子的性质.导出了非对称量子点中弱耦合极化子的振动频率和相互作用能随量子点的横向和纵向有效受限长度和电子-声子耦合强度的变化关系.数值计算结果表明:非对称量子点中弱耦合极化子的振动频率和相互作用能随量子点的横向和纵向有效受限长度的减小而迅速增大,表现出奇特的量子尺寸效应.     

Bipolaron in a quasi-0D quantum dot

Bipolaron states in a quasi-0D quantum dot with a spherical parabolic confinement potential are investigated by applying the Feynman variational principle. The bipolaron coupling energy and self-action potential energy are found to increase with an increase in the Fröhlich electron–phonon-coupling constant. There is also a non-monotonic dependence of the bipolaron coupling energy on the quantum dot radius. With decreasing structure radius the bipolaron coupling energy increases. However, from a critical radius it starts decreasing as the radius decreases, due to the dominance of the coulomb-to-phonon mediated interaction. When electrons in the bipolaron are forcefully neighboured, the polarization of the structure is intensified and consequently there is Coulomb repulsion. The possibility of bipolaron formation depends on the strength of the direct Coulomb repulsion which, in turn, depends on the quantum dot radius. The main contribution to the bipolaron coupling energy comes from the self-action potential. This self-action potential energy influences the energy state of the bipolaron considerably. The ratio of optical-to-static dielectric constants significantly affects the bipolaron coupling energy.     

Polaronic exciton in quantum wells wires and nanotubes

We investigate the effect of the longitudinal-optical phonon field on the binding energies of excitons in quantum wells, well-wires and nanotubes based on ionic semiconductors. We take into account the exciton-phonon interaction by using the Aldrich-Bajaj effective potential for Wannier excitons in a polarizable medium. We extend the fractional-dimensional method developed previously for neutral and negatively charged donors to calculate the exciton binding energies in these heterostructures. In this method, the exciton wave function is taken as a product of the ground state functions of the electron polaron and hole polaron with a correlation function that depends only on the electron-hole separation. Starting from the variational principle we derive a one-dimensional differential equation, which is solved numerically by using the trigonometric sweep method. We find that the potential that takes into account polaronic effects always give rise to larger exciton binding energies than those obtained using a Coulomb potential screened by a static dielectric constant. This enhancement of the binding energy is more considerable in quantum wires and nanotubes than in quantum wells. Our results for quantum wells are in a good agreement with previous variational calculations. Also, we present novel curves of the exciton binding energies as a function of the wire and nanotubes radii for different models of the confinement potential.     

量子点中强耦合极化子的性质

采用Pekar类型的变分方法研究了抛物量子点中强耦合极化子的基态和激发态的性质。计算了基态和激发态极化子的结合能、光学声子平均数和极化子的共振频率。讨论了这些量对有效限制强度和电子 体纵光学声子耦合强度的依赖关系。结果表明:抛物量子点中极化子的共振频率、基态和激发态极化子的结合能以及光学声子平均数都随量子点的有效束缚强度的增大而减小。光学声子平均数随电子 体纵光学声子耦合强度的增加而增大。     

库仑场对抛物量子点中强耦合极化子性质的影响

采用线性组合算符和幺正变换方法研究了在库仑场束缚下抛物量子点中强耦合束缚极化子的振动频率和基态能量。并对其进行了数值计算,结果表明:强耦合束缚极化子的振动频率和基态能量随量子点的有效受限长度的增加而减小,随电子-LO声子耦合强度的增加而增加,束缚极化子的基态能量随库仑势的增加而减小。     

GaAs抛物量子线中弱耦合极化子的磁场效应

应用变分法和改进的线性组合算符法,研究了磁场对抛物量子线中弱耦合极化子振动频率和相互作用能的影响.给出了GaAs抛物量子线中弱耦合极化子的振动频率和相互作用能与磁场和约束强度的依赖关系.对GaAs晶体作了数值计算,结果显示:极化子振动频率和相互作用能都随约束强度和外磁场的增加而增大.     

量子点中束缚极化子性质的温度依赖性

采用线性组合算符和幺正变换方法研究抛物量子点中弱耦合束缚极化子性质的温度依赖性,导出了弱耦合束缚极化子的振动频率、基态能量和声子平均数随温度的变化关系。取ZnS晶体为例进行数值计算,结果表明:量子点中弱耦合束缚极化子的振动频率、基态能量和声子平均数随温度的升高而增大。     

极化子单激发态的反向极化研究

通过对有机高分子中极化子的单激发态进行研究，发现该态在外电场下呈现反向极化特征，极化规律与双激子态类似.在强电场下，反向极化消失，极化子单激发态解离为一个单极化子和一个双极化子态. 关键词： 极化子态 激子态 反向极化     

非对称量子点中极化子的性质

采用线性组合算符和幺正变换方法研究了非对称量子点中强、弱耦合极化子的性质,导出了非对称量子点中强、弱耦合极化子的基态能量和基态结合能随量子点的横向、纵向有效受限长度,电子-声子耦合强度的变化关系.通过数值计算,结果表明,量子点中强、弱耦合极化子的基态能量和基态结合能随量子点的横向、纵向有效受限长度的减小而迅速增大.     

The ground-state lifetime of polaron in a parabolic quantum dot

This paper reports that the ground-state energy of polaron was obtained with strong electron-LO-phonon coupling by using a variational method of the Pekar type in a parabolic quantum dot. Quantum transition is occurred in the quantum system due to the electron-phonon interaction and the influence of temperature. That is the polaron transit from the ground-state to the first-excited state after absorbing a LO-phonon and it causes the change of the polaron lifetime. Numerical calculations are performed and the results illustrate that the ground-state lifetime of the polaron will increase with increasing the ground-state energy of polaron and decrease with increasing the electron-LO-phonon coupling strength, the confinement length of the quantum dot and the temperature.     

库仑场对量子线中强耦合极化子性质的影响

采用改进的线性组合算符法研究了库仑场对抛物量子线中强耦合极化子性质的影响。计算了抛物量子线中强耦合束缚极化子的基态能量、振动频率和声子平均数。讨论了这些量对库仑束缚势和约束强度的依赖关系。数值计算结果表明：量子线中强耦合束缚极化子的基态能量随库仑束缚势的增加而减少,随约束强度的增加而增大;振动频率和电子周围的光学声子平均数均随库仑束缚势的增加而增加。     

Small bipolarons in the 2-dimensional Holstein-Hubbard model. II. Quantum bipolarons

We study the effective mass of the bipolarons and essentially the possibility to get both light and strongly bound bipolarons in the Holstein-Hubbard model and some variations in the vicinity of the adiabatic limit. Several approaches to investigate the quantum mobility of polarons and bipolarons are proposed for this model. First, the quantum fluctuations are treated as perturbations of the mean-field (or adiabatic) approximation of the electron-phonon coupling in order to calculate the bipolaron bands. It is found that the bipolaron mass generally remains very large except in the vicinity of the triple point of the phase diagram (see [1]), where the bipolarons have several degenerate configurations at the adiabatic limit (single site (S0), two sites (S1) and quadrisinglet (QS)), while the polarons are much lighter. This degeneracy reduces the bipolaron mass significantly. Next we improve this result by variational methods (modified Toyozawa Exponential Ansatz or TEA) valid for larger quantum perturbations away from the adiabatic limit. We first test this new method for the single polaron. We find that the triple point of the phase diagram is washed out by the lattice quantum fluctuations which thus suppress the light bipolarons. Further improvements of the method by hybridization of several TEA states do not change this conclusion. Next we show that some model variations, for example a phonon dispersion may increase the stability of the (QS) bipolaron against the quantum lattice fluctuations. We show that the triple point of the phase diagram may be stable to quantum lattice fluctuations and a very sharp mass reduction may occur, leading to bipolaron masses of the order of 100 bare electronic mass for realistic parameters. Thus we argue that such very light bipolarons could condense as a superconducting state at relatively high temperature when their interactions are not too large, that is, their density is small enough. This effect might be relevant for understanding the origin of the high superconductivity of doped cuprates far enough from half filling. Received 15 September 1999