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Physical review. B, Condensed matter

General properties of a polaron in motion

Wang Kelin, Wang Yi, Wan Shaolong

Published Nov 1, 1996• 11 citations
Publisher

Abstract

A concise approach for static polarons is extended to study the dynamic polaron system having nonspherical symmetry. The general properties of moving polarons, such as the ground-state energy, the phonon number, the effective mass, and the density distribution of phonon momentum---studied as functions of the total polaron momentum and electron-phonon coupling strength---are calculated numerically in a wide range of intermediate coupling strengths. In particular, a modified Fr\"ohlich Hamiltonian is derived for the problem of polaron momentum Q\ensuremath{\geqslant}1. \textcopyright{} 1996 The American Physical Society.

DOI
10.1103/physrevb.54.12852

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A general class of acoustical-phonon mode induced-polaron systems is considered. The electron-phonon interaction for these systems is described by a Fr\"ohlich-interaction Hamiltonian involving Fourier components proportional to ${q}^{\ensuremath{\gamma}}$, where $\ensuremath{\gamma}$ is an arbitrary real number. The energy versus total momentum ($E\ensuremath{-}P$) relations for these polarons are investigated. At weak coupling, in the context of the intermediate coupling theory, it is found that when $\ensuremath{-}1<\ensuremath{\gamma}\ensuremath{\le}\ensuremath{-}\frac{1}{2}$ a linear structure is present in the $E\ensuremath{-}P$ relations. As $\ensuremath{\gamma}$ decreases from -1/2 to -1, this linear structure becomes apparent only for larger and larger values of $P$. For $\ensuremath{\gamma}>\ensuremath{-}\frac{1}{2}$, this linear structure is not present, but rather the $E\ensuremath{-}P$ relations cut off at a critical value of $P$. When $\ensuremath{-}1<\ensuremath{\gamma}\ensuremath{\le}0$, the polaron mass for these systems grows large as the polaron velocity $v$ approaches the speed of sound $s$, but for $\ensuremath{\gamma}>0$ the polaron mass has a finite value as $v\ensuremath{\rightarrow}s$. As a function of $\ensuremath{\gamma}$, the self-energy reaches a maximum value for $\ensuremath{\gamma}\ensuremath{\approx}\ensuremath{-}0.73$ and the $v\ensuremath{\rightarrow}0$ polaron mass reaches a minimum value for $\ensuremath{\gamma}\ensuremath{\approx}\ensuremath{-}0.25$, independent of coupling strength. From a strong-coupling theory appropriate for moving polarons it is found that a linear structure in the $E\ensuremath{-}P$ relations is obtained for all $\ensuremath{\gamma}>\ensuremath{-}1$. At both weak and strong coupling it is unclear that the $E\ensuremath{-}P$ relations are meaningful when $\ensuremath{\gamma}\ensuremath{\le}\ensuremath{-}1$.

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The Properties of Effective Mass of Polaron

Zhi Zhang

With the improvement of experimental techniques and the replacement of equipment, composition and application of solid material have been gained a series new development. So there is continuing interests in polaron. N.Tokuda discussed that the variational law of the groundstate energy, the excitedstate energies with coupling constant; Xiao Jinglin, et al. investigated that the properties of polaron in various coupling strength; Xiao Wei, et al. studied that the affact of temperature on polaron; We discussed that the properties of acoustic deformation potential polaron. This paper was going to illustrate the variational law of the effective mass of polaron with temperature and coupling strength.In this paper, the variational relation of the effective mass of polaron in crystals with temperature and coupling strength was derived by using linearcombination operator and unitary transformation method. The results indicated that the effective mass increases with increasing coupling strength when temperature is constant, resulting in the interaction of electronphonon strengthens with increasing coupling strength. The results also illustrate that the effective mass varies with variation of temperature when coupling strength is constant, the stronger coupling strength is, the more obvious the affect of temperature on effective mass. At limit of weakcoupling,the effective mass of slowmoving polaron has nothing to do with temperature because a electron is approximate a freeelectron at limit of weakcoupling and it's motion is not affected by crystals vibration.In sum, the effective mass of polaron increases with increasing coupling strength when temperature is constant, and affect of temperature on effective mass also increases with increasing coupling strength.

Chinese Journal of Luminescence•Jan 1, 2003•0 citations
A concise approach for static polarons is extended to study the dynamic polaron system having nonspherical symmetry. The general properties of moving polarons, such as the ground-state energy, the phonon number, the effective mass, and the density distribution of phonon momentum---studied as functions of the total polaron momentum and electron-phonon coupling strength---are calculated numerically in a wide range of intermediate coupling strengths. In particular, a modified Fr"ohlich Hamiltonian is derived for the problem of polaron momentum Q\ensuremath{\geqslant}1. \textcopyright{} 1996 The American Physical Society.
A general class of acoustical-phonon mode induced-polaron systems is considered. The electron-phonon interaction for these systems is described by a Fr\"ohlich-interaction Hamiltonian involving Fourier components proportional to ${q}^{\ensuremath{\gamma}}$, where $\ensuremath{\gamma}$ is an arbitrary real number. The energy versus total momentum ($E\ensuremath{-}P$) relations for these polarons are investigated. At weak coupling, in the context of the intermediate coupling theory, it is found that when $\ensuremath{-}1<\ensuremath{\gamma}\ensuremath{\le}\ensuremath{-}\frac{1}{2}$ a linear structure is present in the $E\ensuremath{-}P$ relations. As $\ensuremath{\gamma}$ decreases from -1/2 to -1, this linear structure becomes apparent only for larger and larger values of PPP. For $\ensuremath{\gamma}>\ensuremath{-}\frac{1}{2}$, this linear structure is not present, but rather the $E\ensuremath{-}P$ relations cut off at a critical value of PPP. When $\ensuremath{-}1<\ensuremath{\gamma}\ensuremath{\le}0$, the polaron mass for these systems grows large as the polaron velocity vvv approaches the speed of sound sss, but for $\ensuremath{\gamma}>0$ the polaron mass has a finite value as $v\ensuremath{\rightarrow}s$. As a function of $\ensuremath{\gamma}$, the self-energy reaches a maximum value for $\ensuremath{\gamma}\ensuremath{\approx}\ensuremath{-}0.73$ and the $v\ensuremath{\rightarrow}0$ polaron mass reaches a minimum value for $\ensuremath{\gamma}\ensuremath{\approx}\ensuremath{-}0.25$, independent of coupling strength. From a strong-coupling theory appropriate for moving polarons it is found that a linear structure in the $E\ensuremath{-}P$ relations is obtained for all $\ensuremath{\gamma}>\ensuremath{-}1$. At both weak and strong coupling it is unclear that the $E\ensuremath{-}P$ relations are meaningful when $\ensuremath{\gamma}\ensuremath{\le}\ensuremath{-}1$.
We explore the quasiparticle properties of lattice polarons on the basis of a quite general electron-phonon Hamiltonian with a long-range displacement-type interaction. To treat the dynamical quantum phonons without significant loss of accuracy we adapt an exact Lanczos diagonalization method and compute various static and dynamical quantities, such as the electron-lattice correlation function, the polaron band dispersion, the effective polaron mass, the kinetic energy, the single-particle spectral function, and the optical conductivity, on finite one-dimensional lattices for a wide range of model parameters. We compare the results with those obtained for the standard Holstein model with short-range electron-phonon interaction only.
A refined approach where the wave function is gradually improved is developed in the one-dimensional (1D) large-Frohlich-polaron problem. The results for the ground-state energy, the effective mass, and the average number of virtual phonons are obtained for a wide range of the coupling constant It, and are in agreement with those of the Feynman path-integral formalism. In addition, in the weak-coupling limit, the expansions of these observables in powers of the coupling constant are exactly calculated up to the alpha 3 -term. They are E=- alpha -0.06066 alpha 2 -0.00844 alpha 3 , m*=1+0.5 alpha +0.19194 alpha 2 +0.06912 alpha 3 , and N=0.5 alpha +0.12132 alpha 2 +0.029540 alpha 3 , which agree with the known results of the fourth-order perturbation theory.
It is well known that two qualitatively different pictures arise in the description of the motion of an electron in an ionic crystal. In the first case, when the electron interacts weakly with the ionic lattice of the crystal, its motion is the same as the motion of a free band electron whose energy is shifted downward with respect to the bottom of the conduction band, and the effective mass is replaced by the renormalized mass (weak-coupling polaron). In the other limiting case, when the electron interacts strongly with the ionic crystal, an entire series of different self-consistent states of the electron and lattice, each of which has its own effective mass and radius (strong-coupling polaron), arises. Although the motion of an electron in an ionic crystal is described in both limiting cases with the help of the Pekar-Frohlich Hamiltonian, each case requires its own special methods of analysis. Thus, for example, in the strong-coupling theory a special form of adiabatic perturbation theory has been developed in which the trans-lational degeneracy is removed before the perturbation expansion is made. It has been possible to relate both descriptions within the framework of Feynman's varia-tional approach, in which a smooth upper bound was obtained for the energy of the ground state of the polaron for all values of the electron-phonon coupling constant a (see Fig. 1). We call attention in this connection to Ref. 6, where the thermodynamic properties are calculated with the help of a special method for performing the calculations and for finding averages of T-products. The approach developed there is more convenient for performing specific calculations than is the use of path integrals. It seems to us that it has definite advantages in the construction of general proofs concerning the choice of the approximating Hamiltonians (this is illustrated in Ref. 6 for the example of the linear Bogolyubov model), in the investigation of the characteristics of the behavior of a polaron in external fields, etc.
The polaron problem is treated in a self-consistent manner. The treatment is based on Heisenberg's equations of motion starting from a trial expression for the electron position which includes only one real phonon but any number of virtual phonons. Numerical results for the polaron effective mass and the optical-absorption coefficient are given for electron-LO-phonon coupling strengths ranging from 0 to 4.5. The results are discussed and compared with those obtained by Feynman and by Lee, Low, and Pines.
With the improvement of experimental techniques and the replacement of equipment, composition and application of solid material have been gained a series new development. So there is continuing interests in polaron. N.Tokuda discussed that the variational law of the groundstate energy, the excitedstate energies with coupling constant; Xiao Jinglin, et al. investigated that the properties of polaron in various coupling strength; Xiao Wei, et al. studied that the affact of temperature on polaron; We discussed that the properties of acoustic deformation potential polaron. This paper was going to illustrate the variational law of the effective mass of polaron with temperature and coupling strength.In this paper, the variational relation of the effective mass of polaron in crystals with temperature and coupling strength was derived by using linearcombination operator and unitary transformation method. The results indicated that the effective mass increases with increasing coupling strength when temperature is constant, resulting in the interaction of electronphonon strengthens with increasing coupling strength. The results also illustrate that the effective mass varies with variation of temperature when coupling strength is constant, the stronger coupling strength is, the more obvious the affect of temperature on effective mass. At limit of weakcoupling,the effective mass of slowmoving polaron has nothing to do with temperature because a electron is approximate a freeelectron at limit of weakcoupling and it's motion is not affected by crystals vibration.In sum, the effective mass of polaron increases with increasing coupling strength when temperature is constant, and affect of temperature on effective mass also increases with increasing coupling strength.