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Physical review. B, Condensed matter

Polaron inndimensions

Bo E. Sernelius

Published Dec 15, 1987• 13 citations
Publisher

Abstract

The energy dispersion for arbitrary momentum of a polaron in n dimensions is calculated by the Rayleigh-Schr\"odinger perturbation theory and by a modified Brillouin-Wigner perturbation theory. For the energy and effective mass of the polaron ground state, both methods give results that agree with the results of V. V. Paranjape and P. V. Panjat [Phys. Rev. B 35, 2942 (1987)] to linear order in the polaron coupling constant \ensuremath{\alpha}. The self-energy shifts are progressively weakened with increasing dimension. In particular, this weakening occurs for the structure in the energy dispersion near the momentum value at which the polaron starts decaying via the emission of phonons.

DOI
10.1103/physrevb.36.9059

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Journal of Physics Condensed Matter•Jun 8, 1998•6 citations
The energy dispersion for arbitrary momentum of a polaron in n dimensions is calculated by the Rayleigh-Schr"odinger perturbation theory and by a modified Brillouin-Wigner perturbation theory. For the energy and effective mass of the polaron ground state, both methods give results that agree with the results of V. V. Paranjape and P. V. Panjat [Phys. Rev. B 35, 2942 (1987)] to linear order in the polaron coupling constant \ensuremath{\alpha}. The self-energy shifts are progressively weakened with increasing dimension. In particular, this weakening occurs for the structure in the energy dispersion near the momentum value at which the polaron starts decaying via the emission of phonons.
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 Hamiltonian is generalized to the case of an electron moving in n space dimensions. For n=2 and n=3 the familiar Fr\"ohlich Hamiltonian is reobtained. The polaron ground-state energy is calculated up to fourth order in perturbation theory. We found that within the Feynman two-particle polaron model approximation the polaron ground-state energy satisfies the scaling relation ${E}_{n\mathrm{D}(\mathrm{\ensuremath{\alpha}})}$=(n/3)E3D{\mathrm{E}}_{3\mathrm{D}}E3D​({\ensuremath{\Gamma}[ (n-1)/2]3 \ensuremath{\surd}\ensuremath{\pi} /2n\ensuremath{\Gamma}(n/2)}\ensuremath{\alpha}), where EnD{E}_{n\mathrm{D}}EnD​ is the Feynman polaron ground-state energy for the polaron in n dimensions and E3D{E}_{3\mathrm{D}}E3D​ the energy in three dimensions.
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.
The energy spectrum of a polaron---an electron interacting with the longitudinal-optical phonons of a polar crystal---is studied with particular attention given to the region where the polaron excitation energy closely approaches the energy of a longitudinal-optical phonon. In this region, existing theories of the polaron spectrum are inadequate; in particular, the usual Rayleigh-Schr\"odinger perturbation theory is shown to be inconsistent. A self-consistent weak-coupling theory is developed, and a variational theory of the polaron spectrum which, for small coupling, reduces to this weak-coupling theory is presented. Whitfield and Puff, and Schultz have conjectured that the polaron energy EEpRE\mathrm{E}p\mathrm{R}EEpR, bends over and becomes horizontal as the polaron momentum ppp approaches from below the value at which the polaron excitation energy, $E(p)\ensuremath{-}E(0)$, becomes equal to the optical-phonon energy. Using the weak-coupling method of the present paper, this conjecture has been verified to lowest order and next higher order in the coupling constant.
The polaron path integral introduced by Feynman is generalized to the case of an electron moving in d space dimensions. A scheme of systematic calculations of the obtained path integral is developed to estimate the ground-state energy of the polaron in the same way for different values of the electron-phonon coupling constant \ensuremath{\alpha}. The leading-order term in this approach yields an upper bound to the polaron self-energy and improves Feynman's variational estimates for d=2 and d=3. A scaling relation between polaron self-energies for different space dimensions is obtained for this term. The next correction to this estimation is calculated by numerical integration for d=2 and d=3.
The effective mass of the Fröhlich polaron model in d spatial dimensions is obtained within the Gaussian-equivalent representation, that is, within a suitably rearranged perturbative path-integral approach, whose leading order already takes care of all Gaussian fluctuations. In doing so, the authors extend their earlier investigations ( Phys. Rev. B 50 3733 (1994)) of the polaron ground-state energy. Analytical expressions for the effective mass are derived in the weak- and strong-coupling limit. In the intermediate-coupling regime, the effective mass is calculated numerically for the cases of two and three dimensions. The new results are compared with previously known data.