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/9802071

Large Bipolaron in a Polaron-Gas Background

M. A. Smondyrev, Arkady A Shanenko, J. T. Devreese

Published Feb 6, 1998• 0 citations
arXivHTMLPDF

Abstract

A criterion, proposed by the present authors, is used to derive numerical results for the stability of a large bipolaron embedded in a polaron gas. The main conclusion is that an isolated metastable bipolaron can be stabilized by the polaron gas surroundings because of the Fermi statistics of polarons. On the other hand, it is found that the exchange interaction tends to destabilize the bipolaron. The study is performed both for bulk (3D) materials and for thin (2D) films within the Hartree-Fock approximation. The bipolaron is described by an extension of the Feynman

DOI
10.48550/arxiv.cond-mat/9802071

Related papers

Stability criterion for large bipolarons in a polaron-gas background

M. A. Smondyrev, Arkady A Shanenko, J. T. Devreese

In this paper we consider the stability of a large bipolaron embedded in a polaron gas. The main conclusion is that an isolated nonstable bipolaron can be stabilized in the presence of a polaron gas exhibiting Fermi statistics. On the other hand, the exchange interaction tends to destabilize the bipolaron. This study has been performed both for bulk three-dimensional materials and for thin two-dimensional films using the Hartree-Fock approximation. The bipolaron has been described by an extension of the Feynman polaron model.

Physical review. B, Condensed matter•Dec 18, 2000•13 citations

Electron correlations and instability of a two-center bipolaron

N. I. Kashirina, Victor Dmitrievich Lakhno, V. V. Sychev

The energy of a large bipolaron is calculated for various spacings between the centers of the polarization potential wells of the two polarons with allowance made for electron correlations (i.e., the explicit dependence of the wave function of the system on the distance between the electrons) and for permutation symmetry of the two-electron wave function. The lowest singlet and triplet 23 S states of the bipolaron are considered. The singlet polaron is shown to be stable over the range of ionic-bond parameter values η≤ηm≈0.143 (η=ɛ∞/ɛ0, where ɛ∞ and ɛ 0 are the high-frequency and static dielectric constants, respectively). There is a single energy minimum, corresponding to the single-center bipolaron configuration (similar to a helium atom). The binding energy of the bipolaron for η → 0 is J bp=−0.136512e 4 m */ℏ2ɛ ∞ 2 (e and m* are the charge and effective mass of a band electron), or 25.8% of the double polaron energy. The triplet bipolaron state (similar to an orthohelium atom) is energetically unfavorable in the system at hand. The single-center configuration of the triplet bipolaron corresponds to a sharp maximum in the distance dependence of the total energy J bp(R); therefore, a transition of the bipolaron to the orthostate (e.g., due to exchange scattering) will lead to decay of the bound two-particle state. The exchange interaction between polarons is antiferromagnetic (AFM) in character. If the conditions for the Wigner crystallization of a polaron gas are met, the AFM exchange interaction between polarons can lead to AFM ordering in the system of polarons.

Physics of the Solid State•Jan 1, 2003•7 citations

Stability conditions for a large anharmonic bipolaron

Matthew Houtput, Jacques Tempere

A large polaron is a quasiparticle that consists of a nearly free electron interacting with the phonons of a material, whose lattice parameters are much smaller than the polaron scale. The electron-phonon interaction also leads to an attractive interaction between electrons, which can allow two polarons to pair up and form a bipolaron. It has been shown that large bipolarons can form in theory due to strong one-electron--one-phonon coupling, but they have not been seen in real materials because the critical value of the required electron-phonon interaction is too large. Here, we investigate the effect of one-electron--two-phonon coupling on the large bipolaron problem. Starting from a generalization of the Fr\"ohlich Hamiltonian that includes both the standard one-electron--one-phonon interaction as well as an anharmonic one-electron--two-phonon interaction, we use the path-integral method to find a semianalytical upper bound for the bipolaron energy that is valid at all values of the Fr\"ohlich coupling strength $\ensuremath{\alpha}$. We find the bipolaron phase diagram and conditions for the bipolaron stability by comparing the bipolaron energy to the energy of two free polarons. The critical value of the Fr\"ohlich coupling strength ${\ensuremath{\alpha}}_{\text{crit}}$ is calculated as a function of the strength of the one-electron--two-phonon interaction. The results suggest that large bipolaron formation is more likely in materials with significant one-electron--two-phonon interaction as well as strong one-electron--one-phonon interaction, such as strontium titanate.

arXiv:2211.11632•Physical review. B./Physical review. B•Jan 20, 2023•0 citations

Polaron Interactions and Bipolarons in One-Dimensional Bose Gases in the Strong Coupling Regime

M. Will, G. E. Astrakharchik, Michael Fleischhauer

Bose polarons, quasiparticles composed of mobile impurities surrounded by cold Bose gas, can experience strong interactions mediated by the many-body environment and form bipolaron bound states. Here we present a detailed study of heavy polarons in a one-dimensional Bose gas by formulating a nonperturbative theory and complementing it with exact numerical simulations. We develop an analytic approach for weak boson-boson interactions and arbitrarily strong impurity-boson couplings. Our approach is based on a mean-field theory that accounts for deformations of the superfluid by the impurities and in this way minimizes quantum fluctuations. The mean-field equations are solved exactly in the Born-Oppenheimer approximation, leading to an analytic expression for the interaction potential of heavy polarons, which is found to be in excellent agreement with quantum Monte Carlo (QMC) results. In the strong coupling limit, the potential substantially deviates from the exponential form valid for weak coupling and has a linear shape at short distances. Taking into account the leading-order Born-Huang corrections, we calculate bipolaron binding energies for impurity-boson mass ratios as low as 3 and find excellent agreement with QMC results.

arXiv:2101.11997•Physical Review Letters•Aug 31, 2021•54 citations

Interaction of polarons in two and three dimensions

P. J. Baymatov, Pulat K. Khabibullaev

Two-dimensional and three-dimensional bipolarons of large radius, symmetrized with respect to the coordinate parts of the two-center wave functions, are investigated in the adiabatic approximation with allowance for dynamic interelectronic correlations. The adiabatic potential lines are plotted. It is shown that the quasimolecular configuration appearing in the Hartree-Fock approximation is unstable in both the two-dimensional and the three-dimensional cases. The ground state is a one-center configuration. Estimates are given for the binding energy and the heat of dissociation of a bipolaron.

Physics of the Solid State•Mar 1, 1997•0 citations

Electron pairing: from metastable electron pair to bipolaron

G-Q Hai, L Cândido, B G A Brito +1 more

Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band.

arXiv:1802.06593•Journal of Physics Communications•Feb 13, 2018•12 citations
A criterion, proposed by the present authors, is used to derive numerical results for the stability of a large bipolaron embedded in a polaron gas. The main conclusion is that an isolated metastable bipolaron can be stabilized by the polaron gas surroundings because of the Fermi statistics of polarons. On the other hand, it is found that the exchange interaction tends to destabilize the bipolaron. The study is performed both for bulk (3D) materials and for thin (2D) films within the Hartree-Fock approximation. The bipolaron is described by an extension of the Feynman
In this paper we consider the stability of a large bipolaron embedded in a polaron gas. The main conclusion is that an isolated nonstable bipolaron can be stabilized in the presence of a polaron gas exhibiting Fermi statistics. On the other hand, the exchange interaction tends to destabilize the bipolaron. This study has been performed both for bulk three-dimensional materials and for thin two-dimensional films using the Hartree-Fock approximation. The bipolaron has been described by an extension of the Feynman polaron model.
The energy of a large bipolaron is calculated for various spacings between the centers of the polarization potential wells of the two polarons with allowance made for electron correlations (i.e., the explicit dependence of the wave function of the system on the distance between the electrons) and for permutation symmetry of the two-electron wave function. The lowest singlet and triplet 23 S states of the bipolaron are considered. The singlet polaron is shown to be stable over the range of ionic-bond parameter values η≤ηm≈0.143 (η=ɛ∞/ɛ0, where ɛ∞ and ɛ 0 are the high-frequency and static dielectric constants, respectively). There is a single energy minimum, corresponding to the single-center bipolaron configuration (similar to a helium atom). The binding energy of the bipolaron for η → 0 is J bp=−0.136512e 4 m */ℏ2ɛ ∞ 2 (e and m* are the charge and effective mass of a band electron), or 25.8% of the double polaron energy. The triplet bipolaron state (similar to an orthohelium atom) is energetically unfavorable in the system at hand. The single-center configuration of the triplet bipolaron corresponds to a sharp maximum in the distance dependence of the total energy J bp(R); therefore, a transition of the bipolaron to the orthostate (e.g., due to exchange scattering) will lead to decay of the bound two-particle state. The exchange interaction between polarons is antiferromagnetic (AFM) in character. If the conditions for the Wigner crystallization of a polaron gas are met, the AFM exchange interaction between polarons can lead to AFM ordering in the system of polarons.
A large polaron is a quasiparticle that consists of a nearly free electron interacting with the phonons of a material, whose lattice parameters are much smaller than the polaron scale. The electron-phonon interaction also leads to an attractive interaction between electrons, which can allow two polarons to pair up and form a bipolaron. It has been shown that large bipolarons can form in theory due to strong one-electron--one-phonon coupling, but they have not been seen in real materials because the critical value of the required electron-phonon interaction is too large. Here, we investigate the effect of one-electron--two-phonon coupling on the large bipolaron problem. Starting from a generalization of the Fr\"ohlich Hamiltonian that includes both the standard one-electron--one-phonon interaction as well as an anharmonic one-electron--two-phonon interaction, we use the path-integral method to find a semianalytical upper bound for the bipolaron energy that is valid at all values of the Fr\"ohlich coupling strength $\ensuremath{\alpha}$. We find the bipolaron phase diagram and conditions for the bipolaron stability by comparing the bipolaron energy to the energy of two free polarons. The critical value of the Fr\"ohlich coupling strength ${\ensuremath{\alpha}}_{\text{crit}}$ is calculated as a function of the strength of the one-electron--two-phonon interaction. The results suggest that large bipolaron formation is more likely in materials with significant one-electron--two-phonon interaction as well as strong one-electron--one-phonon interaction, such as strontium titanate.
Bose polarons, quasiparticles composed of mobile impurities surrounded by cold Bose gas, can experience strong interactions mediated by the many-body environment and form bipolaron bound states. Here we present a detailed study of heavy polarons in a one-dimensional Bose gas by formulating a nonperturbative theory and complementing it with exact numerical simulations. We develop an analytic approach for weak boson-boson interactions and arbitrarily strong impurity-boson couplings. Our approach is based on a mean-field theory that accounts for deformations of the superfluid by the impurities and in this way minimizes quantum fluctuations. The mean-field equations are solved exactly in the Born-Oppenheimer approximation, leading to an analytic expression for the interaction potential of heavy polarons, which is found to be in excellent agreement with quantum Monte Carlo (QMC) results. In the strong coupling limit, the potential substantially deviates from the exponential form valid for weak coupling and has a linear shape at short distances. Taking into account the leading-order Born-Huang corrections, we calculate bipolaron binding energies for impurity-boson mass ratios as low as 3 and find excellent agreement with QMC results.
Two-dimensional and three-dimensional bipolarons of large radius, symmetrized with respect to the coordinate parts of the two-center wave functions, are investigated in the adiabatic approximation with allowance for dynamic interelectronic correlations. The adiabatic potential lines are plotted. It is shown that the quasimolecular configuration appearing in the Hartree-Fock approximation is unstable in both the two-dimensional and the three-dimensional cases. The ground state is a one-center configuration. Estimates are given for the binding energy and the heat of dissociation of a bipolaron.
Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band.