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physica status solidi (b)

Rigorous Ground State Energy of a Linearized Model of a Polaron in a Magnetic Field

F. Brosens, J. T. Devreese

Published Feb 1, 1988• 11 citations
Publisher

Abstract

Abstract An explicit analytical expression is derived for the ground state energy of a linearized polaron model in a constant and uniform magnetic field. In this model, the validity of the Feynman inequality in a magnetic field is investigated. In a fixed magnetic field, it is shown that even for arbitrarily small electron—phonon coupling, the presence of a magnetic field is prohibitive for the application of the Feynman inequality.

DOI
10.1002/pssb.2221450217

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Extension to the case of a magnetic field of Feynman’s path-integral upper bound on the ground-state energy: Application to the Fröhlich polaron

J. T. Devreese, F. Brosens

The Feynman inequality ${\mathit{E}}_{\mathit{G}}$\ensuremath{\le}${\mathit{E}}_{\mathrm{trial}}$+${\mathrm{lim}}_{\mathrm{\ensuremath{\beta}}\ensuremath{\rightarrow}\mathrm{\ensuremath{\infty}}}$〈S-${\mathit{S}}_{\mathrm{trial}}$〉/\ensuremath{\beta} for path integrals provides a powerful upper bound on the ground-state energy ${\mathit{E}}_{\mathit{G}}$ of a large variety of systems. ${\mathit{E}}_{\mathrm{trial}}$ is the ground-state energy of some trial system with action ${\mathit{S}}_{\mathrm{trial}}$ for imaginary values of the time variable, and S is the action (also expressed in imaginary time variables) of the system under study. \ensuremath{\beta}=1/${\mathit{k}}_{\mathit{B}}$T, where ${\mathit{k}}_{\mathit{B}}$ is the Boltzmann constant and T the temperature. However, the Feynman inequality is not a priori justified for a system in a magnetic field, because imaginary terms subsist in the action also after transforming to imaginary time variables. Replacing or extending this inequality when magnetic fields are present has therefore been a long-standing problem. In the present paper we solve this problem. We first derive an inequality, providing an upper bound for the ground-state energy, that is valid even in the case of a nonzero magnetic field, ${\mathrm{E}}_{\mathrm{G}}$\ensuremath{\le}${\mathrm{E}}_{\mathrm{trial}}$+〈\ensuremath{\infty}\ensuremath{\Vert}scrT{${\mathit{markU}}_{\mathrm{trial}}$ (\ensuremath{\infty},-\ensuremath{\infty})[V(0)-${\mathit{V}}_{\mathrm{trial}}$(0)]}-\ensuremath{\infty}〉,for a system with Hamiltonian ${\mathrm{H}}_{0}$+V. T time-ordering operator, and ${\mathit{U}}_{\mathrm{trial}}$ is the time evolution operator of a trial system with Hamiltonian ${\mathit{H}}_{0}$+${\mathit{V}}_{\mathrm{trial}}$ in the interaction representation, with the interactions V(t) and ${\mathit{V}}_{\mathrm{trial}}$(t) switched on adiabatically. Because of the time ordering, retardation effects are also properly taken into account. The contribution of the magnetic field is included in the unperturbed Hamiltonian ${\mathit{H}}_{0}$. If the time-dependent integrands occurring in the matrix element in the right-hand side of our generalized inequality satisfy certain analyticity conditions in the complex-time plane, this inequality reduces to the Feynman inequality for path integrals. If these analyticity conditions are not satisfied, our generalized inequality may introduce supplementary terms ${\mathit{E}}^{\mathrm{DB}}$ in the right-hand side of the Feynman upper bound, ${\mathrm{E}}_{\mathrm{G}}$\ensuremath{\le}${\mathrm{E}}_{\mathrm{t}\mathbf{i}\mathrm{al}}$+${\mathrm{lim}}_{\mathrm{\ensuremath{\beta}}\ensuremath{\rightarrow}\mathrm{\ensuremath{\infty}}}$〈S-${\mathit{S}}_{\mathrm{trial}}$〉/\ensuremath{\beta} +${\mathit{E}}^{\mathrm{DB}}$,because different branch lines or singularities have to be taken into account in the transformation to imaginary time variables. As an important illustration, our generalized inequality is applied to the problem of the Fr\"ohlich polaron in a magnetic field. From the generalization of the Feynman an inequality derived in the present paper, we determine the conditions to be imposed on the variational parameters in the trial action, such that the Feynman upper bound in its original form remains valid for a polaron in a magnetic field. Some limiting cases are studied analytically to illustrate the relevance of our additional constraints on the variational parameters of the trial system. In the free-particle limit and for a particular value of one of the variational parameters, we explicitly derive the contributions from the branch lines in the complex-time plane which arise if these additional constraints are not satisfied.

Physical review. B, Condensed matter•Mar 15, 1992•23 citations

Ground-State Theorem for Free Polarons

L. F. Lemmens, J. DE SITTER, J. T. Devreese

A ground-state theorem for the Fr\"ohlich polaron is derived. We show that the zeroth moment of the current-current correlation function is proportional to the kinetic energy of the polaron. While the electron-phonon interaction does not depend on the electron mass, the coupling constant $\ensuremath{\alpha}$ does; this allows us to relate the kinetic energy with the ground-state energy using the Feynman-Helmann theorem. As an example we compare the polaron ground-state energy on variational grounds with the ground-state energy obtained from the function $\ensuremath{\chi}(\ensuremath{\omega})$ calculated by Feynman, Hellwarth, Iddings, and Platzman. For $\ensuremath{\alpha}<5$ both ground-state energies turn out to be identical, as can be concluded from numerical calculations.

Physical review. B, Solid state•Sep 15, 1973•24 citations
Abstract An explicit analytical expression is derived for the ground state energy of a linearized polaron model in a constant and uniform magnetic field. In this model, the validity of the Feynman inequality in a magnetic field is investigated. In a fixed magnetic field, it is shown that even for arbitrarily small electron—phonon coupling, the presence of a magnetic field is prohibitive for the application of the Feynman inequality.
New results for the free energy of a polaron in a strong magnetic field are presented. The method used here is the extended version of Feynman's pathintegral formalism in which the most general quadratic form containing an infinite number of variational parameters is employed to simulate the variational trial action. A set of nonlinear integral equations is established to determine the upper bound for the free energy in the entire range of electron-phonon coupling constants, temperatures and magnetic fields. Analytical solutions are provided for some limiting cases of interest, and are compared critically with existing calculations of the ground-state energy at zero temperature. The free energy thus obtained is exact to the lowest order in the coupling constant and provides the good interpolation up to the strong coupling regime.
The ground-state energy of the free polaron is calculated, using the Fock approximation. A new model Hamiltonian involving an electron in a harmonic potential of cylindrical symmetry in the presence of a variational magnetic field, internal in origin, is used. This magnetic field, which has no physical existence, introduces the possibility of symmetry breaking. This approach is shown to be equivalent to that of Peters and Devreese (1982), who used path integrals to study the properties of the polaron in a magnetic field, if the variational parameters of their model action are chosen to match those of the author's model and if the magnetic field in the model action is used as a variational parameter whose origin is internal. Using that approach, a strong-coupling ground-state energy much lower than the usual one is found (E 0 =-0.1658 alpha 2 ). It is shown that such a low value cannot be obtained from the adiabatic approximation because a model spectrum having a degenerate ground state has been used. His results call into question the assumption that the energies obtained from the Fock approximation or from the Feynman integrals are upper bounds to the polaron ground-state energy in the case of model actions or Hamiltonians involving magnetic fields.
The free energy of an ideal polaron gas in a static magnetic field is calculated using Feynman's path-integral formalism. The trial action, used in Feynman's polaron theory, is extended to take into account the anisotropy of the effective electron-phonon interaction. This results in a free-energy expression with four variational parameters. According to Feynman's conjecture, the resulting free energy is an upper bound to the exact result. The approximate free energy is expected to provide accurate results for arbitrary electron-phonon coupling strength ($\ensuremath{\alpha}$), temperature (TTT), and magnetic field strength (H\mathcal{H}H). The free energy per polaron is evaluated for limiting values of $\ensuremath{\alpha}$, TTT, and H\mathcal{H}H.
The Feynman inequality EG{\mathit{E}}_{\mathit{G}}EG​\ensuremath{\le}Etrial{\mathit{E}}_{\mathrm{trial}}Etrial​+${\mathrm{lim}}_{\mathrm{\ensuremath{\beta}}\ensuremath{\rightarrow}\mathrm{\ensuremath{\infty}}}$〈S-Strial{\mathit{S}}_{\mathrm{trial}}Strial​〉/\ensuremath{\beta} for path integrals provides a powerful upper bound on the ground-state energy EG{\mathit{E}}_{\mathit{G}}EG​ of a large variety of systems. Etrial{\mathit{E}}_{\mathrm{trial}}Etrial​ is the ground-state energy of some trial system with action Strial{\mathit{S}}_{\mathrm{trial}}Strial​ for imaginary values of the time variable, and S is the action (also expressed in imaginary time variables) of the system under study. \ensuremath{\beta}=1/kB{\mathit{k}}_{\mathit{B}}kB​T, where kB{\mathit{k}}_{\mathit{B}}kB​ is the Boltzmann constant and T the temperature. However, the Feynman inequality is not a priori justified for a system in a magnetic field, because imaginary terms subsist in the action also after transforming to imaginary time variables. Replacing or extending this inequality when magnetic fields are present has therefore been a long-standing problem. In the present paper we solve this problem. We first derive an inequality, providing an upper bound for the ground-state energy, that is valid even in the case of a nonzero magnetic field, EG{\mathrm{E}}_{\mathrm{G}}EG​\ensuremath{\le}Etrial{\mathrm{E}}_{\mathrm{trial}}Etrial​+〈\ensuremath{\infty}\ensuremath{\Vert}scrT{markUtrial{\mathit{markU}}_{\mathrm{trial}}markUtrial​ (\ensuremath{\infty},-\ensuremath{\infty})[V(0)-Vtrial{\mathit{V}}_{\mathrm{trial}}Vtrial​(0)]}-\ensuremath{\infty}〉,for a system with Hamiltonian H0{\mathrm{H}}_{0}H0​+V. T time-ordering operator, and Utrial{\mathit{U}}_{\mathrm{trial}}Utrial​ is the time evolution operator of a trial system with Hamiltonian H0{\mathit{H}}_{0}H0​+Vtrial{\mathit{V}}_{\mathrm{trial}}Vtrial​ in the interaction representation, with the interactions V(t) and Vtrial{\mathit{V}}_{\mathrm{trial}}Vtrial​(t) switched on adiabatically. Because of the time ordering, retardation effects are also properly taken into account. The contribution of the magnetic field is included in the unperturbed Hamiltonian H0{\mathit{H}}_{0}H0​. If the time-dependent integrands occurring in the matrix element in the right-hand side of our generalized inequality satisfy certain analyticity conditions in the complex-time plane, this inequality reduces to the Feynman inequality for path integrals. If these analyticity conditions are not satisfied, our generalized inequality may introduce supplementary terms EDB{\mathit{E}}^{\mathrm{DB}}EDB in the right-hand side of the Feynman upper bound, EG{\mathrm{E}}_{\mathrm{G}}EG​\ensuremath{\le}Etial{\mathrm{E}}_{\mathrm{t}\mathbf{i}\mathrm{al}}Etial​+${\mathrm{lim}}_{\mathrm{\ensuremath{\beta}}\ensuremath{\rightarrow}\mathrm{\ensuremath{\infty}}}$〈S-Strial{\mathit{S}}_{\mathrm{trial}}Strial​〉/\ensuremath{\beta} +EDB{\mathit{E}}^{\mathrm{DB}}EDB,because different branch lines or singularities have to be taken into account in the transformation to imaginary time variables. As an important illustration, our generalized inequality is applied to the problem of the Fr\"ohlich polaron in a magnetic field. From the generalization of the Feynman an inequality derived in the present paper, we determine the conditions to be imposed on the variational parameters in the trial action, such that the Feynman upper bound in its original form remains valid for a polaron in a magnetic field. Some limiting cases are studied analytically to illustrate the relevance of our additional constraints on the variational parameters of the trial system. In the free-particle limit and for a particular value of one of the variational parameters, we explicitly derive the contributions from the branch lines in the complex-time plane which arise if these additional constraints are not satisfied.
A ground-state theorem for the Fr\"ohlich polaron is derived. We show that the zeroth moment of the current-current correlation function is proportional to the kinetic energy of the polaron. While the electron-phonon interaction does not depend on the electron mass, the coupling constant $\ensuremath{\alpha}$ does; this allows us to relate the kinetic energy with the ground-state energy using the Feynman-Helmann theorem. As an example we compare the polaron ground-state energy on variational grounds with the ground-state energy obtained from the function $\ensuremath{\chi}(\ensuremath{\omega})$ calculated by Feynman, Hellwarth, Iddings, and Platzman. For $\ensuremath{\alpha}<5$ both ground-state energies turn out to be identical, as can be concluded from numerical calculations.