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CRC Press eBooks

Weak and Intermediate Coupling Solutions of the Fröhlich Hamiltonian

Ashok Chatterjee, Soma Mukhopadhyay

Published Oct 9, 2018• 0 citations
Publisher

Abstract

After deriving the quantum mechanical model polaron Hamiltonian, Frohlich, Pelzar and Zineau presented a perturbative solution to the problem. This chapter examines the perturbation theory from Frohlich et al. and presents other important weak and intermediate coupling polaron theories. It discusses several polaronic properties like average number of virtual phonons in the polaron cloud, electron life-time, lattice polarization potential using the first-order perturbative wave function and obtained the polaron energy and the polaron mass using the second-order Rayleigh-Schrodinger perturbation theory (RSPT). The second-order RSPT is known to have a limited range of validity. In the one-phonon Tamm-Dancoff approximation, the exact ground state energy appears in the denominator instead of the unperturbed energy that appears in RSPT. The chapter also discusses the work of Lee and Pines who have used the Tomonaga's approximation made in the formulation of the meson-theoretic problem to the case of polaron.

DOI
10.1201/9781315118635-4

Related papers

Strong-Coupling Solutions of the Fröhlich Hamiltonian

Ashok Chatterjee, Soma Mukhopadhyay

This chapter describes some of the most important theories of the strong-coupling polaron. The nature of polarons in the strong-coupling limit is in some sense qualitatively different from the weak or intermediate-coupling polaron—the localization of a polaron being a case in point. Though a qualitative picture of a strong-coupling polaron is easy to visualize as opposed to the weak-coupling polaron, the mathematical formulation of a strongly coupled polaron is rather a difficult problem from the quantum mechanical point of view. In fact, the exact polaron energy in the weak-coupling limit can be obtained from the Frohlich Hamiltonian analytically, while the same is not possible in the strong-coupling limit. In the strong-coupling case, the electron velocity is much larger than the phonon frequency and therefore electron can follow the ion motion adiabatically. The adiabatic expansion of the polaron energy in the strong-coupling regime was reported by Bogoliubov and Tiablikov.

CRC Press eBooks•Oct 9, 2018•0 citations

An extensive calculation of the properties of a one-dimensional polaron

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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.

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Exact and approximate results for the polaron in one dimension

François Maria Peeters, M. A. Smondyrev

The Fr\"ohlich polaron confined to move in one space dimension and interacting with a three-dimensional lattice is studied. We calculate exact and approximate results for the ground-state energy and the effective mass. The following exact results were obtained. In (a) the weak-coupling limit for the energy E=-\ensuremath{\alpha}'-[(3/2 \ensuremath{\surd}2 )-1]\ensuremath{\alpha}' $^{2}$, the mass ${\mathit{m}}^{\mathrm{*}}$/${\mathit{m}}_{\mathit{b}}$=1/2\ensuremath{\alpha}'+[(5/2 \ensuremath{\surd}2 )-1]/4, and the average number of virtual phonons N=1/2\ensuremath{\alpha}'+[(3/ \ensuremath{\surd}2 )-2]\ensuremath{\alpha}' $^{2}$, and in (b) the strong-coupling limit E=-0.333 088\ensuremath{\alpha}' $^{2}$,${\mathit{m}}^{\mathrm{*}}$/${\mathit{m}}_{\mathit{b}}$=2.1254\ensuremath{\alpha}' $^{4}$, and N=0.666 176\ensuremath{\alpha}' $^{2}$. Here, \ensuremath{\alpha}' is the normalized electron-phonon coupling constant, which was chosen such that E=-\ensuremath{\alpha}' within second-order perturbation theory.

Physical review. B, Condensed matter•Feb 15, 1991•28 citations

Renormalized energy of ground and first excited state of Fröhlich polaron in the range of weak coupling

N. V. Tkach, Julia O. Seti, Voitsekhivska +1 more

Partial summing of infinite range of diagrams for the two-phonon mass operator of polaron described by Fröhlich Hamiltonian is performed using the Feynman-Pines diagram technique.Renormalized spectral parameters of ground and first excited (phonon repeat) polaron state are accurately calculated for a weak electron-phonon coupling at T = 0 K.It is shown that the stronger electron-phonon interaction shifts the energy of both states into low-energy region of the spectra.The ground state stays stationary and the excited one decays at a bigger coupling constant.

arXiv:1510.06912•Condensed Matter Physics•Sep 1, 2015•7 citations

A generalized functional approach to the polaron problem

Sergey Gorshkov, Victor Dmitrievich Lakhno, K. Rodriges +1 more

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.

Soviet physics. Doklady•Oct 1, 1984•0 citations

GROUND-STATE ENERGY OF FRÖHLICH ELECTRON-PHONON SYSTEM

Chih-Yuan Lu

Recently Feynman's path-integral formalism of the Fröhlich optical polaron problem is generalized, by which it is easy and natural to get the second-order perturbation result in the weak-coupling case and the Pekar's result in the strongcoupling case, even in the crudest ground-state approximation. By using numerical method to the equations which are given by the ground-state approximation, the ground-state energy of the electron-optical phonon system can obtained for the overall range of coupling strength. In addition, a self-consistent set of equations is derived for a central optimized potential without using the ground-state approximation. This effective local, central potential is the solution of a linear integral equation which was similar to the extensive work of optimized-potential model (OPM) in atomic physics. By using OPM formalism, no particular choice of interaction form is taken, therefore, except the approximation by Jensen's inequality, the ground-state energy of the electron-optical phonon interacting system can be obtained without any approximation.

Le Journal de Physique Colloques•Dec 1, 1981•0 citations
After deriving the quantum mechanical model polaron Hamiltonian, Frohlich, Pelzar and Zineau presented a perturbative solution to the problem. This chapter examines the perturbation theory from Frohlich et al. and presents other important weak and intermediate coupling polaron theories. It discusses several polaronic properties like average number of virtual phonons in the polaron cloud, electron life-time, lattice polarization potential using the first-order perturbative wave function and obtained the polaron energy and the polaron mass using the second-order Rayleigh-Schrodinger perturbation theory (RSPT). The second-order RSPT is known to have a limited range of validity. In the one-phonon Tamm-Dancoff approximation, the exact ground state energy appears in the denominator instead of the unperturbed energy that appears in RSPT. The chapter also discusses the work of Lee and Pines who have used the Tomonaga's approximation made in the formulation of the meson-theoretic problem to the case of polaron.
This chapter describes some of the most important theories of the strong-coupling polaron. The nature of polarons in the strong-coupling limit is in some sense qualitatively different from the weak or intermediate-coupling polaron—the localization of a polaron being a case in point. Though a qualitative picture of a strong-coupling polaron is easy to visualize as opposed to the weak-coupling polaron, the mathematical formulation of a strongly coupled polaron is rather a difficult problem from the quantum mechanical point of view. In fact, the exact polaron energy in the weak-coupling limit can be obtained from the Frohlich Hamiltonian analytically, while the same is not possible in the strong-coupling limit. In the strong-coupling case, the electron velocity is much larger than the phonon frequency and therefore electron can follow the ion motion adiabatically. The adiabatic expansion of the polaron energy in the strong-coupling regime was reported by Bogoliubov and Tiablikov.
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.
The Fr\"ohlich polaron confined to move in one space dimension and interacting with a three-dimensional lattice is studied. We calculate exact and approximate results for the ground-state energy and the effective mass. The following exact results were obtained. In (a) the weak-coupling limit for the energy E=-\ensuremath{\alpha}'-[(3/2 \ensuremath{\surd}2 )-1]\ensuremath{\alpha}' 2^{2}2, the mass m∗{\mathit{m}}^{\mathrm{*}}m∗/mb{\mathit{m}}_{\mathit{b}}mb​=1/2\ensuremath{\alpha}'+[(5/2 \ensuremath{\surd}2 )-1]/4, and the average number of virtual phonons N=1/2\ensuremath{\alpha}'+[(3/ \ensuremath{\surd}2 )-2]\ensuremath{\alpha}' 2^{2}2, and in (b) the strong-coupling limit E=-0.333 088\ensuremath{\alpha}' 2^{2}2,m∗{\mathit{m}}^{\mathrm{*}}m∗/mb{\mathit{m}}_{\mathit{b}}mb​=2.1254\ensuremath{\alpha}' 4^{4}4, and N=0.666 176\ensuremath{\alpha}' 2^{2}2. Here, \ensuremath{\alpha}' is the normalized electron-phonon coupling constant, which was chosen such that E=-\ensuremath{\alpha}' within second-order perturbation theory.
Partial summing of infinite range of diagrams for the two-phonon mass operator of polaron described by Fröhlich Hamiltonian is performed using the Feynman-Pines diagram technique.Renormalized spectral parameters of ground and first excited (phonon repeat) polaron state are accurately calculated for a weak electron-phonon coupling at T = 0 K.It is shown that the stronger electron-phonon interaction shifts the energy of both states into low-energy region of the spectra.The ground state stays stationary and the excited one decays at a bigger coupling constant.
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.
Recently Feynman's path-integral formalism of the Fröhlich optical polaron problem is generalized, by which it is easy and natural to get the second-order perturbation result in the weak-coupling case and the Pekar's result in the strongcoupling case, even in the crudest ground-state approximation. By using numerical method to the equations which are given by the ground-state approximation, the ground-state energy of the electron-optical phonon system can obtained for the overall range of coupling strength. In addition, a self-consistent set of equations is derived for a central optimized potential without using the ground-state approximation. This effective local, central potential is the solution of a linear integral equation which was similar to the extensive work of optimized-potential model (OPM) in atomic physics. By using OPM formalism, no particular choice of interaction form is taken, therefore, except the approximation by Jensen's inequality, the ground-state energy of the electron-optical phonon interacting system can be obtained without any approximation.