Temperature dependence of the properties of strong-coupling bipolaron in a quantum dot

Temperature dependence of the properties of strong-coupling bipolaron in a quantum dot (QD) is studied based on the Lee-Low-Pines-Huybrechts variational method and quantum statistical theory. Results of the numerical calculation show that the vibration frequency as well as the absolute value of the induced potential and the effective potential all increase with increasing coupling strength and temperature, respectively, and they also increase with decreasing relative distance of electrons. The bipolarons are closer and more stable when the temperature is higher and coupling strength is larger. The influence of radius of QD and dielectric constant ratio on the effective potential is little.     

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.     

Strong-coupling theory of two dimensional large bipolarons in elliptical quantum dots

In the limit of strong electron-phonon coupling, we analyze the stability of two dimensional bipolarons in a two-axis elliptic potential well of harmonic boundaries. The confined two-polaron wavefunction adopted here makes the electrons to form either a bipolaronic bound state or go into a composite state of two separated polarons bounded inside the same potential well. The methodology involves the mean polaron-polaron separation treated as an adjustable parameter to be determined variationally. By tuning the barrier slopes of the confining potential we obtain an explicit tracking of the criterion for bipolaron stability encompassing the particular cases of a two dimensional circular dot or a planar strip-like quantum well wire. We observe that, while an increased degree of confinement enhances bipolaronic stability, the effect of anisotropy is to inhibit bipolaron formation. Received 30 July 2001 and Received in final form 28 January 2002     

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.     

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     

Small bipolarons in the 2-dimensional Holstein-Hubbard model. I. The adiabatic limit

The spatially localized bound states of two electrons in the adiabatic two-dimensional Holstein-Hubbard model on a square lattice are investigated both numerically and analytically. The interplay between the electron-phonon coupling g, which tends to form bipolarons and the repulsive Hubbard interaction , which tends to break them, generates many different ground-states. There are four domains in the phase diagram delimited by first order transition lines. Except for the domain at weak electron-phonon coupling (small g) where the electrons remain free, the electrons form bipolarons which can 1) be mostly located on a single site (small , large g); 2) be an anisotropic pair of polarons lying on two neighboring sites in the magnetic singlet state (large , large g); or 3) be a “quadrisinglet state” which is the superposition of 4 electronic singlets with a common central site. This quadrisinglet bipolaron is the most stable in a small central domain in between the three other phases. The pinning modes and the Peierls-Nabarro barrier of each of these bipolarons are calculated and the barrier is found to be strongly depressed in the region of stability of the quadrisinglet bipolaron. Received 10 December 1998     

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。     

Ground and Excited States of Bipolarons in Two and Three Dimensions

The properties of large bipolarons in two and three dimensions are investigated by averaging over the relative wavefunction of the two electrons and using the Lee-Low-Pines-Huybrechts variational method. The ground-state (GS) and excited-state energies of the Fröhlich bipolaron for the whole range of electron-phonon coupling constants can be obtained. The energies of the first relaxed excited state (RES) and Franck-Condon (FC) excited state of the bipolaron are also calculated. It is found that the first RES energy is lower than the FC state energy. The comparison of our GS and RES energies with those in literature is also given.     

Ground and Excited States of Bipolarons in Two and Three Dimensions

The properties of large bipolarons in two and three dimensions are investigated by averaging over the relative wavefunction of the two electrons and using the Lee-Low-Pines-Huybrechts variational method. The groundstate (GS) and excited-state energies of the Fr(o)hlich bipolaron for the whole range of electron-phonon coupling constants can be obtained. The energies of the first relaxed excited state (RES) and Franck-Condon (FC) excited state of the bipolaron are also calculated. It is found that the first RES energy is lower than the FC state energy. The comparison of our GS and RES energies with those in literature is also given.     

抛物量子点中弱耦合束缚极化子的相互作用能

研究了抛物量子点中弱耦合束缚极化子的性质,采用改进的线性组合算符和幺正变换方法导出了束缚极化子的振动频率、有效质量和相互作用能。讨论了量子点的有效受限长度、电子LO声子耦合强度和库仑场对抛物量子点中弱耦合极化子的振动频率、有效质量和相互作用能的影响。数值计算结果表明:弱耦合束缚极化子的振动频率和相互作用能随有效受限长度的减少而急剧增大,振动频率随库仑势以及电子LO声子耦合强度的增加而增加,而相互作用能随库仑势以及电子LO声子耦合强度的增加而减小。有效质量仅与电子LO声子耦合强度有关。     

磁场对非对称量子点中束缚磁极化子性质的影响

采用线性组合算符和幺正变换方法研究磁场对非对称量子点中弱耦合束缚磁极化子性质的影响。导出量子点中弱耦合束缚磁极化子振动频率和基态能量随量子点的横向和纵向有效受限长度、库仑束缚势、磁场的回旋共振频率和电子-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束缚磁极化子的振动频率和基态能量随量子点的横向和纵向有效受限长度的减小而迅速增大。振动频率随库仑束缚势和磁场的回旋共振频率的增加而增大。基态能量随库仑束缚势和电子-声子耦合强度的增加而减小。     

Stability of low-dimensionally-confined bipolarons

In the limit of strong electron-phonon coupling, we provide a unified insight into the stability criterion for bipolaron formation in low-dimensionally confined media. The model that we use consists of a pair of electrons immersed in a reservoir of bulk LO phonons and confined within an anisotropic parabolic potential box, whose barrier slopes can be tuned arbitrarily from zero to infinity. Thus, encompassing the bulk and all low-dimensional geometric configurations of general interest, we obtain an explicit tracking of the critical ratio of dielectric constants below which bipolarons can exist. Received 15 September 1999 and Received in final form 20 March 2000     

Effect of the Electron—Phonon Coupling on Barrier D^— Quantum Dots in Magnetic Fields

The influence of the electron-phonon coupling of the energy of low-lying states of the barrier D^- center,which consists of a positive ion located on the z-azis at a distance from the two-dimensional quantum dot plane and two electrons in the dot plane bound by the ion,is investigated at arbitrary strength of maguetic field by mading use of the method of few-body physics.Discontinuous ground-state energy transitions induced by the magnetic field are reported.The dependence of the binding energy of the D^- ground state on the quantum dot radius is obtained.A considerable enhancement of the binding is found for the D^- ground state,which results from the confinement of electrons and electron-phonon coupling.     

The stability of magnetobipolarons in low-dimensional systems

We investigate the stability condition of large bipolarons confined in a parabolic potential containing certain parameters and a uniform magnetic field. The variational wave function is constructed as a product form of electronic parts, consisting of center of mass and internal motion, and a part of coherent phonons generated by Lee-Low-Pines transformation from the vacuum. An analytical expression for the bipolaron energy is found, from which the ground and excited-state energies are obtained numerically by minimization procedure. The bipolaron stability region is determined by comparing the bipolaron energy with those of two separate polarons, which is already calculated within the same approximation. It is shown that the results obtained for the ground state energy of bipolarons reduce to the existing works in zero magnetic field. In the presence of a magnetic field, the stability of bipolarons is examined, for three types of low-dimensional system, as function of certain parameters, such as the magnetic-field, the electron-phonon coupling constant, Coulomb repulsion and the confinement strength. Numerical solutions for the energy levels of the ground and first excited states are examined as functions of the same parameters. Received 7 March 2002 and Received in final form 22 April 2002 Published online 25 June 2002     

量子点中弱耦合束缚极化子的内部激发态性质

采用线性组合算符和幺正变换方法研究库仑束缚势对量子点中弱耦合束缚极化子激发态性质的影响。计算了束缚极化子的振动频率、第一内部激发态能量、激发能量和共振频率随量子点的有效受限长度,电子-声子耦合强度和库仑束缚势的变化关系。结果表明:量子点中弱耦合束缚极化子的振动频率、第一内部激发态能量、激发能量和共振频率随量子点的有效受限长度的减少而迅速增大,随库仑束缚势的增加而增大。     

非对称量子点中弱耦合束缚极化子的性质

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弱耦合束缚极化子的性质。导出了非对称量子点中弱耦合束缚极化子的振动频率和基态能量随量子点的横向和纵向有效受限长度,库仑束缚势和电子-声子耦合强度的变化关系。通过数值计算,结果表明:非对称量子点中弱耦合束缚极化子的振动频率和基态能量随量子点的横向和纵向有效受限长度的减小而迅速增大。     

Squeezed magnetobipolarons in two-dimensional quantum dot

In this Letter, a different method was given for calculating the energies of the magnetobipolarons confined in a parabolic QD (quantum dot). We introduced single-mode squeezed states transformation, which are based on the Lee-Low-Pines and Huybrechts (LLP-H) canonical transformations. This method can provide results not only for the ground state energy but also for the excited states energies. Moreover, it can be applied to the entire range of the electron-phonon coupling strength. Comparing with the results of the LLP-H transformations, we have obtained more accurate results for the ground state energy, excited states energies and binding energy of the bipolarons. It shows that the magnetic field and the quantum dot can facilitate the formation of the bipolarons when η is smaller than some value.     

抛物势量子点中强耦合双极化子量子比特的性质

基于LLP幺正变换,采用Pekar型变分法得到了二维量子点中强耦合双极化子的基态和第一激发态的能量和波函数,进而构造了一个双极化子的量子比特。数值结果表明:在量子比特内,两电子的空间几率密度的时间振荡周期T0随电声子耦合强度α、量子点的受限强度ω0以及介质的介电常数比η的增加而减小;在量子比特内,两电子的空间几率密度Q随时间t、角坐标φ2及介电常数比η的变化而作周期性振荡;两电子在量子点中心附近区域出现的几率较大,而在远离量子点中心区域出现的几率很小。     

Computer simulation study of bipolaron formation

Monte Carlo computer simulation techniques are used to study the formation of bipolarons on a lattice. The transition between the three possible states, extended, twopolaron, and bipolaron is studied. The phase diagram as a function of the strengths of the electron-phonon coupling and repulsive interaction is determined.     

Effective interaction of electrons in quantum wells

Effects of electron-phonon interaction on the interaction between electrons in semiconductor quantum wells are considered. It is found that the direct Coulomb potential between electrons in a quantum well is smaller than that in bulk semicondutors. The antisymmetric modes of the confined bulk phonons and interface phonons have no contribution to the effective interaction of electrons. If a well is narrow enough, the effective interaction between electrons caused by interaction with interface phonons may exceed that by interaction with confined bulk phonons. In narrower wells the effective interaction potential of electrons produced by phonons is stronger, but decreases rapidly with increasing distance between electrons.