Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:cond-mat/0004436 · Physical review. B, Condensed matter

Optical absorption of an interacting many-polaron gas

Jacques Tempere, J. T. Devreese

Published Aug 6, 2001• 70 citations
arXivHTMLPDF

Abstract

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 $``d$-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.

DOI
10.1103/physrevb.64.104504

Related papers

Polaronic features in the optical properties of the Holstein t−J model

E. Cappelluti, Sergio Ciuchi, S. Fratini

We derive an exact solution for the optical conductivity $\ensuremath{\sigma}(\ensuremath{\omega})$ of one hole in the Holstein $t\text{\ensuremath{-}}J$ model in the framework of dynamical mean-field theory. We investigate the magnetic and phonon features associated with polaron formation as a function of the exchange coupling $J$, electron-phonon interaction $\ensuremath{\lambda}$, and temperature. Our solution directly relates the features of the optical conductivity to excitations in the single-particle spectral function, revealing two distinct mechanisms of closing and filling of the optical pseudogap that take place upon varying the microscopic parameters. We show that the optical absorption at the polaron crossover is characterized by a coexistence of a magnon peak at low frequency and a broad polaronic band at higher frequency. An analytical expression for $\ensuremath{\sigma}(\ensuremath{\omega})$ valid in the polaronic regime is presented.

arXiv:0705.1944•Physical Review B•Sep 20, 2007•27 citations

Dynamic properties of a polaron coupled to dispersive optical phonons

J. Bonča, S. A. Trugman

We study static and dynamic properties of an electron coupled to dispersive quantum optical phonons in the framework of the Holstein model defined on a one-dimensional lattice. Calculations are performed using the Lanczos algorithm based on a highly efficient construction of the variational Hilbert space. Even small phonon dispersion has a profound effect on the low-energy optical response. While the upward phonon dispersion broadens the optical spectra due to single-phonon excitations, the downward dispersion has the opposite effect. With increasing dispersion, a multiphonon excitation (MPE) state becomes the lowest excited state of the system at zero momentum and determines the low-frequency response of the optical conductivity where the threshold for optical absorption moves below the single-phonon frequency. Multiphonon states form a well-defined bandlike feature just above the polaron band as clearly seen in the electron spectral function. Low-energy MPEs should be observable in systems with strong optical phonon dispersion in optical as well as angle-resolved photoemission experiments.

Physical review. B./Physical review. B•Feb 12, 2021•28 citations

Finite-temperature optical conductivity with density-matrix renormalization group methods for the Holstein polaron and bipolaron with dispersive phonons

D. J. Jansen, J. Bonča, Fabian Heidrich‐Meisner

A comprehensive picture of polaron and bipolaron physics is essential to understand the optical absorption spectrum in many materials with electron-phonon interactions. In particular, the finite-temperature properties are of interest since they play an important role in many experiments. Here, we combine the parallel two-site time-dependent variational principle algorithm (p2TDVP) with local basis optimization (LBO) and purification to calculate time-dependent current-current correlation functions. From this information, we extract the optical conductivity for the Holstein polaron and bipolaron with dispersive phonons at finite temperatures. For the polaron in the weak and intermediate electron-phonon coupling regimes, we analyze the influence of phonon dispersion relations on the spectra. For strong electron-phonon coupling, the known result of an asymmetric Gaussian is reproduced for a flat phonon band. For a finite phonon bandwidth, the center of the Gaussian is either shifted to larger or smaller frequencies, depending on the sign of the phonon hopping. We illustrate that this can be well understood by considering the Born-Oppenheimer surfaces. Similar behavior is seen for the bipolaron for strong coupling. For the bipolaron with weak and intermediate coupling strengths and a flat phonon band, we obtain two very different spectra. The latter also has a temperature-dependent resonance at a frequency below the phonon frequency.

arXiv:2206.00985•Physical review. B./Physical review. B•Oct 17, 2022•24 citations

Polaronic approach to strongly correlated electron systems with strong electron-phonon interaction

I. A. Makarov, Elena I. Shneyder, P. A. Kozlov +1 more

The three-band $p\text{\ensuremath{-}}d$ model of strongly correlated electrons interacting with optical phonons via diagonal and off-diagonal electron-phonon interactions is considered within the cluster perturbation theory. In the beginning, the exact diagonalization of the Hamiltonian of a ${\mathrm{CuO}}_{4}$ cluster results in the construction of local polaronic eigenstates $\left|p\right\ensuremath{\rangle}$ with hole numbers ${n}_{h}=0,1,2$ per unit cell. The intercluster hoppings and interactions are exactly written in terms of Hubbard operators ${X}_{f}^{pq}=\left|p\right\ensuremath{\rangle}\ensuremath{\langle}q|$ determined via the multielectron polaronic eigenstates $\left|p\right\ensuremath{\rangle}$ at site $\mathbf{f}$. The Fermi-type single-electron quasiparticle dispersion and spectral weight are calculated for the undoped antiferromagnetic parent insulator like ${\mathrm{La}}_{2}{\mathrm{CuO}}_{4}$. The quasiparticle dispersion of Hubbard polarons is determined by a hybridization of the Hubbard fermion subbands with local Franck-Condon resonances so the main polaronic effect of the quasiparticle band structure is a splitting of the Hubbard bands on the number of Hubbard polaron subbands. Increasing of the EPI constant results in an increase of splitting, decrease of the subband width, transfer of the spectral weight to high-energy multiphonon excitations, and subsequent localization of the charge carriers. Herewith, the effect of such renormalization for the conduction band and the valence one differs depending on the ratio of the diagonal and off-diagonal EPI. In the framework of the GTB method, the Franck-Condon broadening of the spectral function of polaronic excitations is also reproduced for strongly correlated systems with strong electron-phonon interaction.

arXiv:1506.05368•Physical Review B•Oct 26, 2015•16 citations

Many-body effects in metals, modulation doped quantum wells and doped semiconductors

Ηλίας Περάκης

A new approach to the problem of X-ray edge singularities and peaks of many-body origin observed in the optical spectra is presented. We first establish the analogy between a system of one hole interacting with many electrons and the polaron, where one electron interacts with many phonons. We approach both cases as an eigenvalue problem for the time independent Schrodinger equation, obtain expressions for the many-body eigenstate& in a convenient basis and use them to understand the behavior of the system. In the case of a localized hole with infinite mass, we diagonalize the Hamiltonian exactly using first a wavefunction and then a noncanonical transformation. technique. We -use the expressions for the eigenstates to obtain the exact analytic formulas for the optical spectra, accurate over the whole frequency range. We then apply our techniques to the case of a finite mass valence hole, which is realized in modulation doped quantum wells or wires. In this case we approximately diagonalize the Hamiltonian by treating exactly the most important terms leading to nonperturbative behavior. The terms neglected are identified and can be treated in perturbation theory. Our method provides a clear physical picture and valuable insight into the accurate treatment of many-body Hamiltonians.

•Jan 1, 1992•0 citations

Validity of the Franck-Condon Principle in the Optical Spectroscopy: Optical Conductivity of the Fröhlich Polaron

G. De Filippis, V. Cataudella, Andrei S. Mishchenko +2 more

The optical absorption of the Fröhlich polaron model is obtained by an approximation-free diagrammatic Monte Carlo method and compared with two new approximate approaches that treat lattice relaxation effects in different ways. We show that: (i) a strong coupling expansion, based on the Franck-Condon principle, well describes the optical conductivity for large coupling strengths (alpha > 10); (ii) a memory function formalism with phonon broadened levels reproduces the optical response for weak coupling strengths (alpha < 6) taking the dynamic lattice relaxation into account. In the coupling regime 6 < alpha < 10, the optical conductivity is a rapidly changing superposition of both Franck-Condon and dynamic contributions.

arXiv:cond-mat/0603219•Physical Review Letters•Apr 6, 2006•46 citations
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 Nd2CuO4\ensuremath−\ensuremathδ(\ensuremathδ<0.004).{\mathrm{Nd}}_{2}{\mathrm{CuO}}_{4\ensuremath{-}\ensuremath{\delta}} (\ensuremath{\delta}<0.004).Nd2​CuO4\ensuremath−\ensuremathδ​(\ensuremathδ<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 Nd2\ensuremath−xCexCuO4{\mathrm{Nd}}_{2\ensuremath{-}x}{\mathrm{Ce}}_{x}{\mathrm{CuO}}_{4}Nd2\ensuremath−x​Cex​CuO4​ materials.
We derive an exact solution for the optical conductivity $\ensuremath{\sigma}(\ensuremath{\omega})$ of one hole in the Holstein $t\text{\ensuremath{-}}J$ model in the framework of dynamical mean-field theory. We investigate the magnetic and phonon features associated with polaron formation as a function of the exchange coupling JJJ, electron-phonon interaction $\ensuremath{\lambda}$, and temperature. Our solution directly relates the features of the optical conductivity to excitations in the single-particle spectral function, revealing two distinct mechanisms of closing and filling of the optical pseudogap that take place upon varying the microscopic parameters. We show that the optical absorption at the polaron crossover is characterized by a coexistence of a magnon peak at low frequency and a broad polaronic band at higher frequency. An analytical expression for $\ensuremath{\sigma}(\ensuremath{\omega})$ valid in the polaronic regime is presented.
We study static and dynamic properties of an electron coupled to dispersive quantum optical phonons in the framework of the Holstein model defined on a one-dimensional lattice. Calculations are performed using the Lanczos algorithm based on a highly efficient construction of the variational Hilbert space. Even small phonon dispersion has a profound effect on the low-energy optical response. While the upward phonon dispersion broadens the optical spectra due to single-phonon excitations, the downward dispersion has the opposite effect. With increasing dispersion, a multiphonon excitation (MPE) state becomes the lowest excited state of the system at zero momentum and determines the low-frequency response of the optical conductivity where the threshold for optical absorption moves below the single-phonon frequency. Multiphonon states form a well-defined bandlike feature just above the polaron band as clearly seen in the electron spectral function. Low-energy MPEs should be observable in systems with strong optical phonon dispersion in optical as well as angle-resolved photoemission experiments.
A comprehensive picture of polaron and bipolaron physics is essential to understand the optical absorption spectrum in many materials with electron-phonon interactions. In particular, the finite-temperature properties are of interest since they play an important role in many experiments. Here, we combine the parallel two-site time-dependent variational principle algorithm (p2TDVP) with local basis optimization (LBO) and purification to calculate time-dependent current-current correlation functions. From this information, we extract the optical conductivity for the Holstein polaron and bipolaron with dispersive phonons at finite temperatures. For the polaron in the weak and intermediate electron-phonon coupling regimes, we analyze the influence of phonon dispersion relations on the spectra. For strong electron-phonon coupling, the known result of an asymmetric Gaussian is reproduced for a flat phonon band. For a finite phonon bandwidth, the center of the Gaussian is either shifted to larger or smaller frequencies, depending on the sign of the phonon hopping. We illustrate that this can be well understood by considering the Born-Oppenheimer surfaces. Similar behavior is seen for the bipolaron for strong coupling. For the bipolaron with weak and intermediate coupling strengths and a flat phonon band, we obtain two very different spectra. The latter also has a temperature-dependent resonance at a frequency below the phonon frequency.
The three-band $p\text{\ensuremath{-}}d$ model of strongly correlated electrons interacting with optical phonons via diagonal and off-diagonal electron-phonon interactions is considered within the cluster perturbation theory. In the beginning, the exact diagonalization of the Hamiltonian of a CuO4{\mathrm{CuO}}_{4}CuO4​ cluster results in the construction of local polaronic eigenstates $\left|p\right\ensuremath{\rangle}$ with hole numbers nh=0,1,2{n}_{h}=0,1,2nh​=0,1,2 per unit cell. The intercluster hoppings and interactions are exactly written in terms of Hubbard operators ${X}_{f}^{pq}=\left|p\right\ensuremath{\rangle}\ensuremath{\langle}q|$ determined via the multielectron polaronic eigenstates $\left|p\right\ensuremath{\rangle}$ at site f\mathbf{f}f. The Fermi-type single-electron quasiparticle dispersion and spectral weight are calculated for the undoped antiferromagnetic parent insulator like La2CuO4{\mathrm{La}}_{2}{\mathrm{CuO}}_{4}La2​CuO4​. The quasiparticle dispersion of Hubbard polarons is determined by a hybridization of the Hubbard fermion subbands with local Franck-Condon resonances so the main polaronic effect of the quasiparticle band structure is a splitting of the Hubbard bands on the number of Hubbard polaron subbands. Increasing of the EPI constant results in an increase of splitting, decrease of the subband width, transfer of the spectral weight to high-energy multiphonon excitations, and subsequent localization of the charge carriers. Herewith, the effect of such renormalization for the conduction band and the valence one differs depending on the ratio of the diagonal and off-diagonal EPI. In the framework of the GTB method, the Franck-Condon broadening of the spectral function of polaronic excitations is also reproduced for strongly correlated systems with strong electron-phonon interaction.
A new approach to the problem of X-ray edge singularities and peaks of many-body origin observed in the optical spectra is presented. We first establish the analogy between a system of one hole interacting with many electrons and the polaron, where one electron interacts with many phonons. We approach both cases as an eigenvalue problem for the time independent Schrodinger equation, obtain expressions for the many-body eigenstate& in a convenient basis and use them to understand the behavior of the system. In the case of a localized hole with infinite mass, we diagonalize the Hamiltonian exactly using first a wavefunction and then a noncanonical transformation. technique. We -use the expressions for the eigenstates to obtain the exact analytic formulas for the optical spectra, accurate over the whole frequency range. We then apply our techniques to the case of a finite mass valence hole, which is realized in modulation doped quantum wells or wires. In this case we approximately diagonalize the Hamiltonian by treating exactly the most important terms leading to nonperturbative behavior. The terms neglected are identified and can be treated in perturbation theory. Our method provides a clear physical picture and valuable insight into the accurate treatment of many-body Hamiltonians.
The optical absorption of the Fröhlich polaron model is obtained by an approximation-free diagrammatic Monte Carlo method and compared with two new approximate approaches that treat lattice relaxation effects in different ways. We show that: (i) a strong coupling expansion, based on the Franck-Condon principle, well describes the optical conductivity for large coupling strengths (alpha > 10); (ii) a memory function formalism with phonon broadened levels reproduces the optical response for weak coupling strengths (alpha < 6) taking the dynamic lattice relaxation into account. In the coupling regime 6 < alpha < 10, the optical conductivity is a rapidly changing superposition of both Franck-Condon and dynamic contributions.