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Journal of the Korean Physical Society

Derivation of the linear optical conductivity for electron-phonon interactions in solids by using the revised combined projection technique

Youn Ju Lee, Sang Don Choi

Published Jan 1, 2014• 0 citations
Publisher

Abstract

A revised version of the combined projection technique introduced earlier by the present authors [J. Korean Phys. Soc. 59 , 3372 (2011)] is introduecd and is applied to deriving the linear optical conductivity containing the linewidth function for optical transitions of electrons interacting with phonons in solids. The result is shown to satisfy the population criterion which claims that the Fermi distribution functions for electrons and the Planck distribution functions for phonons should be combined in multiplicative forms in the many-body formalism. The main part of the result is further shown to be indentical with that obtained by using the projection-reduction method [Progr. Theor. Phys. 96 , 307 (1996)].

DOI
10.3938/jkps.64.69

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A revised version of the combined projection technique introduced earlier by the present authors [J. Korean Phys. Soc. 59 , 3372 (2011)] is introduecd and is applied to deriving the linear optical conductivity containing the linewidth function for optical transitions of electrons interacting with phonons in solids. The result is shown to satisfy the population criterion which claims that the Fermi distribution functions for electrons and the Planck distribution functions for phonons should be combined in multiplicative forms in the many-body formalism. The main part of the result is further shown to be indentical with that obtained by using the projection-reduction method [Progr. Theor. Phys. 96 , 307 (1996)].
A projection-diagram method is introduced for optical conductivity with lineshape functions, which takes into account the population criterion that the electron and phonon distribution functions are multiplicatively combined along with the energy conservation factors for proper interpretation of emission and absorption of phonons and photons in all the processes of electron transitions. It is further shown that the second order nonlinear optical conductivity of the system of electrons interacting with phonons, obtained using this method, is identical with that derived by using the state dependent projectors and the KC reduction identities [J. Phys. A: Math. Theor. 43, 165203 (2010)]. We expect that this method can reduce the amount of many-body calculation and can be of help in providing physical intuition into solid state quantum dynamics and representing perturbation expressions for such systems.
Some many-body theories of optical transitions in solids were examined from projection and population criteria. The results showed that state-independent projection methods cannot be applied to electron systems with non-uniform energy spectra. Moreover, neglecting some important terms in a second-order approximation leads to invalidation of the population criterion. In addition, a valid theory satisfying these two criteria can be obtained using a proper state-dependent projection operator and Kang-Choi reduction identity, and the result can be interpreted using a diagram, which can model the quantum dynamics of electron in solids.
The optical absorption of a many (continuum) polaron gas is derived in the framework of a variational approach at zero temperature and weak electron-phonon coupling strength. We derive a compact formula for the optical conductivity of the many-polaron system, taking into account many-body effects in the electron or hole system. Within the method presented here, these effects are contained completely in the dynamical structure factor of the electron or hole system. This allows one to build on well-established studies of the interacting electron gas. Based on this approach a feature in the absorption spectrum of the many-polaron gas, related to the emission of a plasmon together with a phonon, is identified. As an application and illustration of the technique, we compare the theoretical many-polaron optical absorption spectrum as derived in the present work with the ‘‘d``d‘‘d-band'' absorption feature in ${\mathrm{Nd}}_{2}{\mathrm{CuO}}_{4\ensuremath{-}\ensuremath{\delta}} (\ensuremath{\delta}<0.004).$ Similarities are shown between the theoretically and the experimentally derived first frequency moment of the optical absorption of a family of differently doped ${\mathrm{Nd}}_{2\ensuremath{-}x}{\mathrm{Ce}}_{x}{\mathrm{CuO}}_{4}$ materials.
This article presents a systematic theoretical enquiry concerning the conceptual foundations and the nature of phonon-mediated electron-electron interactions. Starting from the fundamental many-body Hamiltonian, we propose a simple scheme to decouple the electrons and nuclei of a crystalline solid via effective interactions. These effective interactions, which we express in terms of linear response functions, are completely symmetric under the exchange of electrons and nuclei. Correspondingly, we derive concrete formulae for both the effective electron interaction mediated by phonons and the effective core interaction mediated by electrons. In particular, we rederive from our fundamental ansatz the well-known general expressions of the effective electron-electron interaction in terms of the elastic Green function and the phonon dispersion relation. We further show that the effective core interaction coincides in the instantaneous limit with the dynamical matrix as calculated in electronic structure theory. If combined with the Kubo formalism, our general formulae lend themselves to the calculation of effective interactions from first principles. By showing the compatibility of our approach with the functional integral formalism, this work also paves the way for the derivation of ab initio initial interactions for functional renormalization group applications.
A linear response formalism is developed for evaluation of transport coefficients in quantum many-particle systems. The method is based on a systematic linearization of nonequilibrium Kadanoff-Baym transport equations in an integral form in ac electric fields. Simple and consistent approximations can be performed in the resulting set of transport equations, which replace vertex equations in the Kubo formalism. The method is illustrated by the example of an ac and dc conductivity and conductance for a quasi-one-dimensional electron system with an electron--phonon interaction for three-dimensional acoustical phonons. After approximations standard in metals, the solved transport equations coincide with the Holstein equation. \textcopyright{} 1996 The American Physical Society.
Electron-phonon interactions play a key role in many branches of solid-state physics. Here, our focus is on the transport properties of one-dimensional systems, and we apply efficient real-time matrix-product state methods to compute the optical and thermal conductivities of Holstein chains at finite temperatures and filling. We validate our approach by comparison with analytical results applicable to single polarons valid in the small polaron limit. Our work provides a systematic study of contributions to the thermal conductivity at finite frequencies and elucidates differences in the spectrum compared to the optical conductivity, covering both the Luttinger-liquid and charge-density-wave regimes. Finally, we demonstrate that our approach is capable of extracting the DC conductivities as well. Beyond this first application, several future extensions seem feasible, such as the inclusion of dispersive phonons, different types of local electron-phonon coupling, and a systematic study of drag effects in this electron-phonon coupled system.