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

Journal of Physics A Mathematical and General

Exact equations for bipolarons in the strong-coupling limit

P. R. Vansant, M. A. Smondyrev, François Maria Peeters, J. T. Devreese

Published Dec 7, 1994• 18 citations
Publisher

Abstract

Equations for the bipolaron wavefunction, ground-state energy and effective mass are derived which are exact in the strong-coupling limit. The results are obtained for large bipolarons in an arbitrary number of spatial dimensions (D). We apply our results to the cases D=1,2,3.
DOI
10.1088/0305-4470/27/23/035

Related papers

Variational calculation for large bipolarons in the strong-coupling limit

Chen Qinghu, Wang Kelin, Wan Shaolong

A variational calculation is presented for large bipolarons in the strong-coupling limit. By means of the phonon coherent state, two coupled self-consistent integrodifferential equations for the center-of-mass and relative motions have been derived. Compared with previous works, lower binding energies for large bipolarons in three dimensions (3D) and two dimensions (2D) have been calculated. As a result, the values of lower bounds to critical ratios between dielectric constants below which bipolarons can exist are obtained as ${\mathrm{\ensuremath{\eta}}}_{\mathit{c}}$=1.23 in 3D and ${\mathrm{\ensuremath{\eta}}}_{\mathit{c}}$=1.64 in 2D.

Physical review. B, Condensed matter•Jul 1, 1994•15 citations

Light polarons and bipolarons for a highly inhomogeneous electron-boson coupling

Mona Berciu, G. A. Sawatzky

We derive the exact polaron and bipolaron Green's functions for a model with a highly inhomogeneous electron-boson coupling , where . While the polaron ground-state energy and quasiparticle weight are similar to those of the Holstein polaron with equal effective coupling, the polaron dispersion is very different. Unlike that of a Holstein polaron, which is monotonically increasing with the polaron momentum, the polaron dispersion in this case is folded inside the Brillouin zone. For strong coupling, the polaron and bipolaron effective masses increase linearly with the effective coupling and exhibit no isotope effect, as opposed to an exponential increase and a strong isotope effect, in the Holstein model. As a result, this model exhibits strongly bound yet light bipolarons at strong couplings. Generalizations are discussed.

Europhysics Letters (EPL)•Feb 19, 2008•9 citations

Bipolarons in the extended Holstein Hubbard model

J. Bonča, S. A. Trugman

We numerically and analytically calculate the properties of the bipolaron in an extended Hubbard-Holstein model, which has a longer-range electron-phonon coupling like the Fr\"ohlich model. In the strong-coupling regime, the effective mass of the bipolaron in the extended model is much smaller than the Holstein bipolaron mass. In contrast to the Holstein bipolaron, the bipolaron in the extended model has a lower binding energy and remains bound with substantial binding energy even in the large-$U$ limit. In comparison with the Holstein model where only a singlet bipolaron is bound, in the extended Holstein model a triplet bipolaron can also form a bound state. We discuss the possibility of phase separation in the case of finite electron doping.

arXiv:cond-mat/0103457•Physical review. B, Condensed matter•Aug 7, 2001•108 citations

Variational calculations of bipolaron binding energies

F. Bassani, Mario Geddo, Giuseppe Iadonisi +1 more

The energies of bipolaron states in three- and two-dimensional systems are calculated variationally, treating the electron-phonon interaction in the Fr\"ohlich approximation, and separating the relative motion from the center-of-mass motion. The bipolaron is bound if the electron-phonon coupling constant \ensuremath{\alpha} is larger than 6 in three dimensions and 2 in two dimensions, provided the ratio \ensuremath{\eta}=${\mathrm{\ensuremath{\epsilon}}}_{\mathrm{\ensuremath{\infty}}}$/${\mathrm{\ensuremath{\epsilon}}}_{0}$ is smaller than a critical value which depends on \ensuremath{\alpha}. The theory yields the free-polaron energies as given in the Lee, Low, and Pines approximation for arbitrary values of the electron-phonon coupling constant \ensuremath{\alpha}. For \ensuremath{\alpha} larger than \ensuremath{\sim}10 and \ensuremath{\sim}4 in the three- and two-dimensional cases, respectively, the lowest free-polaron self-energies are obtained in the strong-coupling approach; it is shown that a trial harmonic envelope wave function, localized both in the center-of-mass and relative coordinates, with a coherent phonon state gives a bound localized bipolaron state of lower energy. It is interesting for application to high-${\mathit{T}}_{\mathit{c}}$ superconductivity that the bipolaron bounds more easily in two dimensions than in three, and that the mean value of the pair radius is a few angstroms. Furthermore, bipolaron states obtained when the linear total momentum is conserved have intrinsically high mobility, which is also an important condition to make the bipolaron mechanism consistent with high-temperature superconductivity.

Physical review. B, Condensed matter•Mar 1, 1991•91 citations

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

Ground and excited states of the bipolaron in two and three dimensions

Yong Hong Ruan, Q. H. Chen, M. Bönitz

The properties of large bipolarons in two and three dimensions are investigated by averaging over the relative wavefunction of the two electrons and using the Lee-Low-Pines-Huybrechts variational method. We obtain the ground-state (GS) and excited-state energies of the Fröhlich bipolaron for the whole range of electron-phonon coupling constants. Furthermore, we calculate the energies of the first relaxed excited state (RES) and Franck-Condon (FC) excited state of the bipolaron. Compared with the FC state, the first RES has a lower energy. Our results for the GS and RES energies are lower than those obtained before by the Landau-Pekar method in the whole coupling regime.

arXiv:cond-mat/0509233•Sep 9, 2005•0 citations
A variational calculation is presented for large bipolarons in the strong-coupling limit. By means of the phonon coherent state, two coupled self-consistent integrodifferential equations for the center-of-mass and relative motions have been derived. Compared with previous works, lower binding energies for large bipolarons in three dimensions (3D) and two dimensions (2D) have been calculated. As a result, the values of lower bounds to critical ratios between dielectric constants below which bipolarons can exist are obtained as ${\mathrm{\ensuremath{\eta}}}_{\mathit{c}}$=1.23 in 3D and ${\mathrm{\ensuremath{\eta}}}_{\mathit{c}}$=1.64 in 2D.
We derive the exact polaron and bipolaron Green's functions for a model with a highly inhomogeneous electron-boson coupling , where . While the polaron ground-state energy and quasiparticle weight are similar to those of the Holstein polaron with equal effective coupling, the polaron dispersion is very different. Unlike that of a Holstein polaron, which is monotonically increasing with the polaron momentum, the polaron dispersion in this case is folded inside the Brillouin zone. For strong coupling, the polaron and bipolaron effective masses increase linearly with the effective coupling and exhibit no isotope effect, as opposed to an exponential increase and a strong isotope effect, in the Holstein model. As a result, this model exhibits strongly bound yet light bipolarons at strong couplings. Generalizations are discussed.
We numerically and analytically calculate the properties of the bipolaron in an extended Hubbard-Holstein model, which has a longer-range electron-phonon coupling like the Fr\"ohlich model. In the strong-coupling regime, the effective mass of the bipolaron in the extended model is much smaller than the Holstein bipolaron mass. In contrast to the Holstein bipolaron, the bipolaron in the extended model has a lower binding energy and remains bound with substantial binding energy even in the large-UUU limit. In comparison with the Holstein model where only a singlet bipolaron is bound, in the extended Holstein model a triplet bipolaron can also form a bound state. We discuss the possibility of phase separation in the case of finite electron doping.
The energies of bipolaron states in three- and two-dimensional systems are calculated variationally, treating the electron-phonon interaction in the Fr\"ohlich approximation, and separating the relative motion from the center-of-mass motion. The bipolaron is bound if the electron-phonon coupling constant \ensuremath{\alpha} is larger than 6 in three dimensions and 2 in two dimensions, provided the ratio \ensuremath{\eta}=${\mathrm{\ensuremath{\epsilon}}}_{\mathrm{\ensuremath{\infty}}}$/${\mathrm{\ensuremath{\epsilon}}}_{0}$ is smaller than a critical value which depends on \ensuremath{\alpha}. The theory yields the free-polaron energies as given in the Lee, Low, and Pines approximation for arbitrary values of the electron-phonon coupling constant \ensuremath{\alpha}. For \ensuremath{\alpha} larger than \ensuremath{\sim}10 and \ensuremath{\sim}4 in the three- and two-dimensional cases, respectively, the lowest free-polaron self-energies are obtained in the strong-coupling approach; it is shown that a trial harmonic envelope wave function, localized both in the center-of-mass and relative coordinates, with a coherent phonon state gives a bound localized bipolaron state of lower energy. It is interesting for application to high-Tc{\mathit{T}}_{\mathit{c}}Tc​ superconductivity that the bipolaron bounds more easily in two dimensions than in three, and that the mean value of the pair radius is a few angstroms. Furthermore, bipolaron states obtained when the linear total momentum is conserved have intrinsically high mobility, which is also an important condition to make the bipolaron mechanism consistent with high-temperature superconductivity.
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 properties of large bipolarons in two and three dimensions are investigated by averaging over the relative wavefunction of the two electrons and using the Lee-Low-Pines-Huybrechts variational method. We obtain the ground-state (GS) and excited-state energies of the Fröhlich bipolaron for the whole range of electron-phonon coupling constants. Furthermore, we calculate the energies of the first relaxed excited state (RES) and Franck-Condon (FC) excited state of the bipolaron. Compared with the FC state, the first RES has a lower energy. Our results for the GS and RES energies are lower than those obtained before by the Landau-Pekar method in the whole coupling regime.