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Physical review. B, Condensed matter

Statistical properties of polarons in a magnetic field. II. Numerical results and discussion on the phase transition

François Maria Peeters, J. T. Devreese

Published Jun 15, 1982• 58 citations
Publisher

Abstract

A detailed numerical analysis is made of the analytic results presented in paper I. Numerical results are presented for the mass of the Feynman polaron, parallel (${M}_{\ensuremath{\parallel}}$) and perpendicular (${M}_{\ensuremath{\perp}}$) to the magnetic field, and for the following thermodynamic quantities: the magnetization, the susceptibility, the internal energy, the entropy, and the specific heat. Those quantities are studied for different values of the electron-phonon coupling ($\ensuremath{\alpha}$), temperature ($T$), and magnetic field strength ($\mathcal{H}$). We found that an ideal gas of polarons undergoes a phase transition. In the physical parameter space ($\frac{1}{\ensuremath{\alpha}},\frac{1}{\mathcal{H}},T$) the points of first-order phase transition define a two-dimensional surface which is circumscribed by a line of second-order phase transitions. At the transition point the polaron transforms in the direction perpendicular to the magnetic field, and with increasing magnetic field strength, from a polaron state (${M}_{\ensuremath{\parallel}}\ensuremath{\approx}{M}_{\ensuremath{\perp}}$) to an almost free Landau state (${M}_{\ensuremath{\parallel}}>>{M}_{\ensuremath{\perp}}\ensuremath{\sim}1$). This transition can be viewed as a magnetic-field-induced two-dimensional stripping of the polaron. The experimental consequences of this phase transition on the thermodynamic quantities and the magneto-optical absorption spectrum are discussed.

DOI
10.1103/physrevb.25.7302

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Statistical properties of polarons in a magnetic field. I. Analytic results

François Maria Peeters, J. T. Devreese

The free energy of an ideal polaron gas in a static magnetic field is calculated using Feynman's path-integral formalism. The trial action, used in Feynman's polaron theory, is extended to take into account the anisotropy of the effective electron-phonon interaction. This results in a free-energy expression with four variational parameters. According to Feynman's conjecture, the resulting free energy is an upper bound to the exact result. The approximate free energy is expected to provide accurate results for arbitrary electron-phonon coupling strength ($\ensuremath{\alpha}$), temperature ($T$), and magnetic field strength ($\mathcal{H}$). The free energy per polaron is evaluated for limiting values of $\ensuremath{\alpha}$, $T$, and $\mathcal{H}$.

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With the development of technological and experimental techniques , crystals with all kinds of dimension and shape have been made by experiment, which has brought out a large market for the apply of new materials. So there is continuing interests in polaron. LeeLowPines calculated the groundstate energy of polaron by a variational technique. Huybrechts calculated the energy of the groundstate and the first internal excited state of the optical polaron for different values of the electronphonon coupling. N.Tokuda studied the dependence of groundstate energy, effective mass and the mean number of polaron on the coupling constant by using the unitary transformation and the method of a lagrange multiplier. Larsen got the groundstate energy of the twodimension magnetoplaron by using forthorder perturbationtheoretic method. Wei et al. investigated the cyclotronresonance mass and frequency of the interface polaron by using Feyman path integration method. Recently, Catandella et al. studied the properties of polaron in onedimension Holstein molecular crystals by using a new variational method, which chosen the linear overlap of Bloch wave of large polaron and small polaron as a trial wavefunction, obtained the variational regularities of the groundstate energy, mass and the mean number of polaron with coupling constant. We also did some works on polaron by using Huybrechts' method. But all works were based on only one considering either magnetic field or coupling strength,respectively. This paper is going to illustrate the common influence of magnetic field and coupling strength on the properties of polaron.The variational relations of the groundstate energy, selftrapping energy and Landau energy with coupling constant and cyclotronresonance frequency are derived by using linearcombination operator method. Numerical calculation indicates that the vibration frequency λ firstly falls, arriving to a minimum value, late increases with increasing coupling constant α; λ monotonously rises with increasing cyclotronresonance frequency ωc;the groundstate energy E0 decrease with increasing α and monotonous rises with increasing ωc;the selftrapping energy E0tr increases with increasing α and ωc;Landau energy E0L firstly increases to a maximum and then fall with increasing α;E0L firstly rises to maximum also and then decreases with increasing ωc.

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Proof of the nonexistence of (formal) phase transitions in polaron systems. II

B. Gerlach, Hartmut Löwen

In recent literature it was frequently claimed that free polarons should undergo a (formal) phase transition from a mobile to a localized state, if the electron-phonon coupling parameter \ensuremath{\alpha} exceeds some critical value ${\ensuremath{\alpha}}_{c}$. For \ensuremath{\alpha}=${\ensuremath{\alpha}}_{c}$, the formal free energy should be nonanalytic in \ensuremath{\alpha}. In this paper we prove that for nonoptical polarons no such transition exists for finite temperatures. Our results can be generalized to the case of lower spatial dimensions as well as to polarons in homogeneous electromagnetic fields. We include some comments on related problems; in particular, the partition function of an electron moving in a Gaussian random potential is considered.

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Proof of the nonexistence of (formal) phase transitions in polaron systems. I

B. Gerlach, Hartmut Löwen

In recent literature it was frequently claimed that free polarons should undergo a (formal) phase transition from a mobile to a localized state, if the electron-phonon coupling constant \ensuremath{\alpha} exceeds some critical value ${\ensuremath{\alpha}}_{c}$. For \ensuremath{\alpha}=${\ensuremath{\alpha}}_{c}$, the formal free energy should be nonanalytic in \ensuremath{\alpha}. In this paper we prove that for optical polarons no such transition exists for finite temperatures. To do so, we use functional-integration techniques and discuss perturbation theory in \ensuremath{\alpha} to infinite order.

Physical review. B, Condensed matter•Mar 15, 1987•63 citations
A detailed numerical analysis is made of the analytic results presented in paper I. Numerical results are presented for the mass of the Feynman polaron, parallel (M\ensuremath∥{M}_{\ensuremath{\parallel}}M\ensuremath∥​) and perpendicular (M\ensuremath⊥{M}_{\ensuremath{\perp}}M\ensuremath⊥​) to the magnetic field, and for the following thermodynamic quantities: the magnetization, the susceptibility, the internal energy, the entropy, and the specific heat. Those quantities are studied for different values of the electron-phonon coupling (\ensuremathα\ensuremath{\alpha}\ensuremathα), temperature (TTT), and magnetic field strength (H\mathcal{H}H). We found that an ideal gas of polarons undergoes a phase transition. In the physical parameter space (1\ensuremathα,1H,T\frac{1}{\ensuremath{\alpha}},\frac{1}{\mathcal{H}},T\ensuremathα1​,H1​,T) the points of first-order phase transition define a two-dimensional surface which is circumscribed by a line of second-order phase transitions. At the transition point the polaron transforms in the direction perpendicular to the magnetic field, and with increasing magnetic field strength, from a polaron state (M\ensuremath∥\ensuremath≈M\ensuremath⊥{M}_{\ensuremath{\parallel}}\ensuremath{\approx}{M}_{\ensuremath{\perp}}M\ensuremath∥​\ensuremath≈M\ensuremath⊥​) to an almost free Landau state (M\ensuremath∥>>M\ensuremath⊥\ensuremath∼1{M}_{\ensuremath{\parallel}}>>{M}_{\ensuremath{\perp}}\ensuremath{\sim}1M\ensuremath∥​>>M\ensuremath⊥​\ensuremath∼1). This transition can be viewed as a magnetic-field-induced two-dimensional stripping of the polaron. The experimental consequences of this phase transition on the thermodynamic quantities and the magneto-optical absorption spectrum are discussed.
The free energy of an ideal polaron gas in a static magnetic field is calculated using Feynman's path-integral formalism. The trial action, used in Feynman's polaron theory, is extended to take into account the anisotropy of the effective electron-phonon interaction. This results in a free-energy expression with four variational parameters. According to Feynman's conjecture, the resulting free energy is an upper bound to the exact result. The approximate free energy is expected to provide accurate results for arbitrary electron-phonon coupling strength ($\ensuremath{\alpha}$), temperature (TTT), and magnetic field strength (H\mathcal{H}H). The free energy per polaron is evaluated for limiting values of $\ensuremath{\alpha}$, TTT, and H\mathcal{H}H.
Abstract It is shown that the Fröhlich polaron in a magnetic field (calculated in the Feynman approximation) exhibits a first‐order phase transition if the electron‐phonon coupling constant α is larger than 4.2. For α = 4.2 the transition is of second order. The phase transition manifests itself as a discontinuity in the magnetization, the susceptibility, and the polaron mass for a critical value of the magnetic field. It is found that at the transition point the phonon cloud surrounding the polaron cannot follow the electron in its motion in the magnetic field.
With the development of technological and experimental techniques , crystals with all kinds of dimension and shape have been made by experiment, which has brought out a large market for the apply of new materials. So there is continuing interests in polaron. LeeLowPines calculated the groundstate energy of polaron by a variational technique. Huybrechts calculated the energy of the groundstate and the first internal excited state of the optical polaron for different values of the electronphonon coupling. N.Tokuda studied the dependence of groundstate energy, effective mass and the mean number of polaron on the coupling constant by using the unitary transformation and the method of a lagrange multiplier. Larsen got the groundstate energy of the twodimension magnetoplaron by using forthorder perturbationtheoretic method. Wei et al. investigated the cyclotronresonance mass and frequency of the interface polaron by using Feyman path integration method. Recently, Catandella et al. studied the properties of polaron in onedimension Holstein molecular crystals by using a new variational method, which chosen the linear overlap of Bloch wave of large polaron and small polaron as a trial wavefunction, obtained the variational regularities of the groundstate energy, mass and the mean number of polaron with coupling constant. We also did some works on polaron by using Huybrechts' method. But all works were based on only one considering either magnetic field or coupling strength,respectively. This paper is going to illustrate the common influence of magnetic field and coupling strength on the properties of polaron.The variational relations of the groundstate energy, selftrapping energy and Landau energy with coupling constant and cyclotronresonance frequency are derived by using linearcombination operator method. Numerical calculation indicates that the vibration frequency λ firstly falls, arriving to a minimum value, late increases with increasing coupling constant α; λ monotonously rises with increasing cyclotronresonance frequency ωc;the groundstate energy E0 decrease with increasing α and monotonous rises with increasing ωc;the selftrapping energy E0tr increases with increasing α and ωc;Landau energy E0L firstly increases to a maximum and then fall with increasing α;E0L firstly rises to maximum also and then decreases with increasing ωc.
The ground-state energy of an acoustical bipolaron in three dimensions (3D) is studied within the Feynman path integral method. The acoustical polaron exhibits a transition from the quasi-free state to the self-trapped state. Depending on the value of the Debye cut-off in phonon wavevector space this transition can be continuous or discontinuous. If two electrons are present a second transition becomes possible: the transition to the bipolaron state in which the two electrons are self-trapped around the same position. The corresponding phase diagram is calculated as function of the cut-off , the electron - phonon coupling strength , and the repulsion (U) between the electrons. We found that: (i) the bipolaron transition is a first-order transition; (ii) it is also possible between two polarons which are in the quasi-free state, i.e. are not self-trapped; and (iii) the effective particle mass increases substantially at the transition point.
In recent literature it was frequently claimed that free polarons should undergo a (formal) phase transition from a mobile to a localized state, if the electron-phonon coupling parameter \ensuremath{\alpha} exceeds some critical value ${\ensuremath{\alpha}}_{c}$. For \ensuremath{\alpha}=${\ensuremath{\alpha}}_{c}$, the formal free energy should be nonanalytic in \ensuremath{\alpha}. In this paper we prove that for nonoptical polarons no such transition exists for finite temperatures. Our results can be generalized to the case of lower spatial dimensions as well as to polarons in homogeneous electromagnetic fields. We include some comments on related problems; in particular, the partition function of an electron moving in a Gaussian random potential is considered.
In recent literature it was frequently claimed that free polarons should undergo a (formal) phase transition from a mobile to a localized state, if the electron-phonon coupling constant \ensuremath{\alpha} exceeds some critical value ${\ensuremath{\alpha}}_{c}$. For \ensuremath{\alpha}=${\ensuremath{\alpha}}_{c}$, the formal free energy should be nonanalytic in \ensuremath{\alpha}. In this paper we prove that for optical polarons no such transition exists for finite temperatures. To do so, we use functional-integration techniques and discuss perturbation theory in \ensuremath{\alpha} to infinite order.