Phonon-modulated-hopping Polarons: X-representation Technique

TL;DR

This paper introduces a Monte Carlo method to analyze phonon-modulated hopping polarons, providing insights into their behavior and universality, especially in models with dispersionless phonons, enhancing understanding of polaron effects.

Contribution

A generic Monte Carlo technique for solving polaron problems with phonon-modulated hopping applicable to various models, notably simplified for dispersionless phonons.

Findings

Method reveals universal features of polaron effects.

Simplification significantly improves computational efficiency.

Insights into Peierls/Su-Schrieffer-Heeger models' qualitative behavior.

Abstract

Motivated by the problem of polaron effect due to phonon-modulated hopping, we formulate a generic Monte Carlo technique for solving it in the coordinate representation for both the particle and atomic displacements. The method applies to a broad class of models; the only condition is that the hopping amplitude be sign-positive. A dramatic simplification of the scheme, with the corresponding efficiency gain, takes place in models with dispersionless phonons. Our study sheds important light on the nature and universality of the most striking qualitative and quantitative effects demonstrated by the "standard" (Peierls/Su-Schrieffer-Heeger) model based on the linearized displacement-modulated hopping.