Polarization catastrophe in the polaronic Wigner crystal

We consider a three dimensional Wigner crystal of electrons lying in a host ionic dielectric. Owing to their interaction with the lattice polarization, each localized electron forms a polaron. We study the collective excitations of such a polaronic Wigner crystal at zero temperature, taking into account the quantum fluctuations of the polarization within the Feynman harmonic approximation. We show that, contrary to the ordinary electron crystal, the system undergoes a polarization catastrophe when the density is increased. An optical signature of this instability is derived, whose trend agrees with the experiments carried out in Nd-based cuprates. Received 4 July 2002 Published online 17 September 2002     

Wigner lattice of ripplopolarons in a multielectron bubble in helium

The properties of ripplonic polarons in a multielectron bubble in liquid helium are investigated on the basis of a path-integral variational method. We find that the two-dimensional electron gas can form deep dimples in the helium surface, or ripplopolarons, to solidify as a Wigner crystal. We derive the experimental conditions of temperature, pressure and number of electrons in the bubble for this phase to be realized. This predicted state is distinct from the usual Wigner lattice of electrons: it melts by dissociation of the ripplopolarons when the electrons shed their localizing dimple as the pressure on the multielectron bubble drops below a critical value. Received 20 February 2003 Published online 11 April 2003 RID="a" ID="a"Also at: TU Eindhoven, Eindhoven, The Netherlands e-mail: devreese@uia.ua.ac.be     

Finite-temperature Wigner solid and other phases of ripplonic polarons on a helium film

Electrons on liquid helium can form different phases depending on density, and temperature. Also the electron-ripplon coupling strength influences the phase diagram, through the formation of so-called “ripplonic polarons”, that change how electrons are localized, and that shifts the transition between the Wigner solid and the liquid phase. We use an all-coupling, finite-temperature variational method to study the formation of a ripplopolaron Wigner solid on a liquid helium film for different regimes of the electron-ripplon coupling strength. In addition to the three known phases of the ripplopolaron system (electron Wigner solid, polaron Wigner solid, and electron fluid), we define and identify a fourth distinct phase, the ripplopolaron liquid. We analyse the transitions between these four phases and calculate the corresponding phase diagrams. This reveals a reentrant melting of the electron solid as a function of temperature. The calculated regions of existence of the Wigner solid are in agreement with recent experimental data.     

One-dimensional moving polarons with extended coherent states

The general properties of one-dimensional large Fr?hlich polarons in motion are investigated with the previous extended coherent states where two-phonon correlations are considered. As a result, the polaron energy, velocity, effective mass, and average number of virtual phonons as a function the polaron total momentum are evaluated in a wide range of the coupling constant. In addition, rich information about virtual phonons emitted by the electron in motion is obtained. More importantly, some intrinsic features of 1D moving polarons are presented for the first time, which may also be suited to moving polarons in more than one dimensions. Received: 23 October 1997 / Revised and Accepted: 27 January 1998     

Polaron formation and hopping conductivity in the Holstein-Hubbard model

On the basis of the Holstein-Hubbard model the formation of polarons at finite densities is investigated by means of a variational approach appropriate for describing squeezing and correlation effects. An effective Hubbard model for the polarons is derived, where the correlations are treated within the slave-boson saddlepoint approximation. For low enough phonon frequencies, with increasing coupling an abrupt self-trapping transition from light to heavy polarons is found. With increasing density the squeezing effect increases, and the transition is shifted to higher couplings. In the case of an effective Coulomb repulsion, the self-trapping transition is shifted to lower couplings with increasing Hubbard interaction, and the effective polaron mass below the transition is enhanced. In the heavy polaron regime, the frequency-dependent polaron hopping conductivity is calculated. There occur qualitative finite-density and correlation effects on the zero-temperature absorption spectrum which are discussed with respect to their possible relevance to the midinfrared absorption in high-T _c superconductors.     

Effect of electron-phonon interaction on surface states in a ternary mixed crystal

A variational theory is proposed to study the surface states of electrons in a semi-infinite ternary mixed crystal, by taking the effect of electron-surface optical (SO) phonon interaction into account. The energy and the wave function of the electronic surface-states are calculated. The numerical results of the energies of the surface states of the polarons and the self-trapping energies are obtained as functions of the composition x and surface potential V₀ for several ternary mixed crystal materials. The results show that the electron-phonon interaction lowers the surface-state levels with the energies from several to scores of meV. It is also found that the self-trapping energy of the surface polaron has a minimum at some middle value of the composition x. It is indicated that the electron-phonon coupling effect can not be neglected. Received 4 January 1999 and Received in final form 7 January 2000     

Entropy and equilibrium state of free market models

Large adiabatic polarons in anisotropic crystals in the presence of constant magnetic field have been studied within the Holstein molecular crystal model in the continuum approximation. It was shown that magnetic field directed along the symmetry axis induces transverse confinement which may stabilize large polarons. They represent localized (soliton-like) nonlinear structure uniformly propagating along the symmetry axis and rotating around it in the same time. Such objects exist in 3D lattice provided that coupling constant and magnetic field do not exceed certain critical values. In contrast with pure 1D systems existence of large polarons is possible in a quite wider region of the values of coupling constant which may attain considerably higher values than in the pure 1D media. Furthermore, polaron effective mass, depending on the intensity of the applied magnetic field, may be considerably lighter than that of the the pure 1D polarons for the same values of coupling constant. This is the most significant difference with respect to pure 1D systems in the absence of magnetic field and may have substantial impact on polaron transport properties.     

The S-FFT calculation of Collins formula and its application in digital holography

We study analytically and numerically the properties of one-dimensional chain of cold ions placed in a periodic potential of optical lattice and global harmonic potential of a trap. In close similarity with the Frenkel-Kontorova model, a transition from sliding to pinned phase takes place with the increase of the optical lattice potential for the density of ions incommensurate with the lattice period. We show that at zero temperature the quantum fluctuations lead to a quantum phase transition and melting of pinned instanton glass phase at large values of dimensional Planck constant. After melting the ion chain can slide in an optical lattice. The obtained results are also relevant for a Wigner crystal placed in a periodic potential.     

Interface polarons in a realistic heterojunction potential

The ground states of interface polarons in a realistic heterojunction potential are investigated by considering the bulk and the interface optical phonon influence. A self-consistent heterojunction potential is used and an LLP-like method is adopted to obtain the polaron effect. The numerical computation has been done for the Zn_1-xCd_xSe/ZnSe system to obtain the polaron ground state energy, self energy and effective mass parallel to the interface. A simplified coherent potential approximation is developed to obtain the parameters of the ternary mixed crystal and the energy band offset of the heterojunction. It is found that at small Cd concentration the bulk longitudinal optical phonons give the main contribution for lower areal electron densities, whereas the interface phonon contribution is dominant for higher areal electron densities. The interface polaron effect is weaker than the effect obtained by the three dimensional bulk phonon and by the two dimensional interface phonon models. Received 17 September 1998     

Aperiodic extended surface perturbations in the Ising model

We study the influence of an aperiodic extended surface perturbation on the surface critical behaviour of the two-dimensional Ising model in the extreme anisotropic limit. The perturbation decays as a power of the distance l from the free surface with an oscillating amplitude where follows some aperiodic sequence with an asymptotic density equal to 1/2 so that the mean amplitude vanishes. The relevance of the perturbation is discussed by combining scaling arguments of Cordery and Burkhardt for the Hilhorst-van Leeuwen model and Luck for aperiodic perturbations. The relevance-irrelevance criterion involves the decay exponent , the wandering exponent which governs the fluctuation of the sequence and the bulk correlation length exponent . Analytical results are obtained for the surface magnetization which displays a rich variety of critical behaviours in the -plane. The results are checked through a numerical finite-size-scaling study. They show that second-order effects must be taken into account in the discussion of the relevance-irrelevance criterion. The scaling behaviours of the first gap and the surface energy are also discussed. Received 1 December 1998     

Cyclotron resonance of a polaron in a realistic heterojunction and its pressure effect

The Larsen perturbation method is adopted to study the influence of magnetic fields on polarons in realistic heterojunctions in a quasi-two-dimension approximation. The interaction between an electron and both the bulk longitudinal optical phonons and the two branches of interface optical phonons is taken into account to show the influence of magnetic fields at different ranges on the polaron cyclotron mass due to the coupling of the electron with each branch of phonon modes. The result indicates that not only do the bulk phonons influence the polaron cyclotron mass, but the interface phonons do as well. The pressure effect on the cyclotron mass is also discussed.     

Rayleigh-Schrödinger perturbation theory for electron-phonon interaction in two dimensional quantum dots with asymmetric parabolic potential

Within the framework of the second-order Rayleigh-Schr?dinger perturbation theory, we investigate the effects of the interaction of the electron and longitudinal-optical phonons in two-dimensional semiconductive quantum dots with respect to a general potential. We propose a simple expression for the ground state energy, and compare it with those obtained by Landau-Pekar strong coupling theory. It is shown both analytically and numerically that the results obtained from the second-order Rayleigh-Schr?dinger perturbation theory could be better than those from Landau-Pekar strong coupling theory when the coupling constant is sufficiently small. Moreover, some interesting problems, such as polarons in quasi-one-dimensional quantum wires, and quasi-zero-dimensional asymmetric or symmetric quantum dots can be easily discussed only by taking different limits. After the numerical calculations, we find that there exists a simple dimensional scaling and symmetry relation for the ground state polaron energy. Furthermore, we apply our results to some weak-coupling polar semiconductors such as GaAs, CdS. It is shown that the polaronic effects are found to be quiet appreciable if the confinement lengths and smaller than a few nanometers. Received: 3 December 1997 / Revised: 6 July 1998 / Accepted: 17 September 1998     

Phase diagram of the Holstein polaron in one dimension

The behavior of the 1D Holstein polaron is described, with emphasis on lattice coarsening effects, by distinguishing between adiabatic and nonadiabatic contributions to the local correlations and dispersion properties. The original and unifying systematization of the crossovers between the different polaron behaviors, usually considered in the literature, is obtained in terms of quantum to classical, weak coupling to strong coupling, adiabatic to nonadiabatic, itinerant to self-trapped polarons and large to small polarons. It is argued that the relationship between various aspects of polaron states can be specified by five regimes: the weak-coupling regime, the regime of large adiabatic polarons, the regime of small adiabatic polarons, the regime of small nonadiabatic (Lang-Firsov) polarons, and the transitory regime of small pinned polarons for which the adiabatic and nonadiabatic contributions are inextricably mixed in the polaron dispersion properties. The crossovers between these five regimes are positioned in the parameter space of the Holstein Hamiltonian.     

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     

Self-Trapping of Acoustic Polaron in One Dimension

The ground-state energy and effective mass of an acoustic polaron in one dimension are calculated by using an electron-longitudinal-acoustic-phonon interaction Hamiltonian derived here. The self-trapping of the acoustic polaron is discussed. It is found that the critical coupling constant shifts toward weaker electron-phonon interaction with the increasing cutoff wave vector and the products of the critical coupling constant by the cutoff wave vector tend to a certain value. The self-trapping of acoustic polarons in one dimension is easier to be realized than that in three- and two-dimensional systems. The self-trapping transition of acoustic polarons is expected to be observed in the one dimensional systems of alkali halides and wide-band-gap semiconductors.     

Critical quantum chaos in 2D disordered systems with spin-orbit coupling

We examine the validity of the recently proposed semi-Poisson level spacing distribution function P(S), which characterizes “critical quantum chaos”, in 2D disordered systems with spin-orbit coupling. At the Anderson transition we show that the semi-Poisson P(S) can describe closely the critical distribution obtained with averaged boundary conditions, over Dirichlet in one direction with periodic in the other and Dirichlet in both directions. We also obtain a sub-Poisson linear number variance , with asymptotic value . The obtained critical statistics, intermediate between Wigner and Poisson, is discussed for disordered systems and chaotic models. Received 1 September 1999     

Magnetic transition and polaron crossover in a two-site single polaron model including double exchange interaction

A two-site double exchange model with a single polaron is studied using a perturbation expansion based on the modified Lang-Firsov transformation. The antiferromagnetic to ferromagnetic transition and the crossover from small to large polaron are investigated for different values of the antiferromagnetic interaction (J) between the core spins and the hopping (t) of the itinerant electron. Effect of the external magnetic field on the small to large polaron crossover and on the polaronic kinetic energy are studied. When the magnetic transition and the small to large polaron crossover coincide for some suitable range of J/t, the magnetic field has very pronounced effect on the dynamics of polarons. Received 1 June 2000     

二维声学极化子的基态能量和有效质量

自陷电子对了解光电材料的光学性质非常重要.近些年来,形变晶格中电子自陷的问题受到研究人员的广泛关注.电子既与声学模耦合,也与光学模相互作用,但电子由自由态向自陷态的转变缘于近程的电子-声学声子耦合.研究表明:声学极化子在大多数半导体以及Ⅲ-Ⅴ族化合物,甚至碱卤化物中都不可能自陷.另一方面,电子-声子耦合在束缚结构,如二维、一维系统中,会有所增强.换言之,电子在低维结构中更容易自陷.Farias等人指出:声学极化子在二维系统中自陷的临界电子-声子耦合常数为定值,不随声子截止波矢的变化而改变.这种结论在物理上不尽合理.通过计算二维系统中的声学极化子基态能量和有效质量,讨论了二维声学极化子自陷问题.研究发现,二维声学极化子自陷转变的临界耦合常数随声子截止波矢的增加朝电子-声子耦合较弱的方向变化.这一特征与前人关于体和表面极化子研究获得的结论定性一致.所得二维声学极化子基态能量的表达式与Farias等人一致,但自陷的结果与Farias等人的结果在定性和定量上均有不同,我们认为Farias等人关于二维声学极化子自陷转变点的确定方式有不妥之处.通过改进自陷转变点的确定方式,得到了在物理上更合理的结果.     

Optical properties of an interacting large polaron gas

The normal state conductivity, , of a system of interacting large polarons is calculated within the Random Phase approximation and some numerical results are presented. The behaviour of the optical absorption as a function of the charge carrier density and of the temperature is analyzed for different values of the electron-phonon coupling constant. It is shown that exhibits features similar to those observed in the infrared spectra of the cuprates. Received 27 January 1999     

Electron-phonon coupling in armchair silicene nanoribbons

We report the effects of electron-phonon coupling on the charge density distribution of polarons in armchair nanoribbons of silicene by using an extended tight-binding model with lattice relaxation. The results show that the charge distribution in silicene nanoribbons is analogous to graphene and that the charge localization increases when the intensity of electron-phonon coupling also increases. We further show that silicene nanoribbons may be a conducting or semiconducting material, depending on both the width of the nanoribbon and the possibility of polaron formation. This contribution provides additional insight into the behavior of polarons in silicene nanoribbons, systems of great interest.