Wigner crystallization in a polarizable medium

TL;DR

This paper investigates the phase behavior of large polarons forming Wigner crystals in 2D and 3D, considering medium polarizability and electron-phonon interactions, revealing conditions for solid and liquid polaronic phases.

Contribution

It introduces a generalized variational method accounting for crystal normal modes and explores the influence of medium polarizability on Wigner crystal stability and phase transitions.

Findings

Weak coupling stabilizes the solid phase in low polarizability media.

Density crossover occurs at the plasma frequency approaching phonon frequency.

Strongly polarizable media exhibit dipole lattice behavior and potential liquid phases.

Abstract

We present a variational study of the 2D and 3D Wigner crystal phase of large polarons. The method generalizes that introduced by S. Fratini,P.\ Qu{\'{e}}merais [Mod. Phys. Lett. B {\bf 12} 1003 (1998)]. We take into account the Wigner crystal normal modes rather than a single mean frequency in the minimization procedure of the variational free energy. We calculate the renormalized modes of the crystal as well as the charge polarization correlation function and polaron radius. The solid phase boundaries are determined via a Lindemann criterion, suitably generalized to take into account the classical-to-quantum cross-over. In the weak electron-phonon coupling limit, the Wigner crystal parameters are renormalized by the electron-phonon interaction leading to a stabilization of the solid phase for low polarizability of the medium. Conversely, at intermediate and strong coupling, the behavior of the system depends strongly on the polarizability of the medium. For weakly polarizable media, a density crossover occurs inside the solid phase when the renormalized plasma frequency approaches the phonon frequency. At low density, we have a renormalized polaron Wigner crystal, while at higher densities the electron-phonon interaction is weakened irrespective of the {\it bare} electron-phonon coupling. For strongly polarizable media, the system behaves as a Lorentz lattice of dipoles. The abrupt softening of the internal polaronic frequency predicted by Fratini and Quemerais is observed near the actual melting point only at very strong coupling, leading to a possible liquid polaronic phase for a wider range of parameters.