Influence Functional Approach to Non-Perturbative Exciton Binding Renormalization from Phonons

Abstract

We construct a many-body model Hamiltonian to capture how phonons renormalize exciton binding as a function of temperature. By using the GW approximation and density functional perturbation theory, we are able to parameterize this Hamiltonian completely from first principles. To capture static quasiparticle properties non-perturbatively, we evolve this Hamiltonian in imaginary time with path integral Monte Carlo using an influence functional based approach. For a class of Wannier-Mott type excitons, our binding energies are in quantitative agreement with experiment. We find that in addition to long-range dipolar interactions from longitudinal optical modes, short-ranged deformation potentials from acoustic modes and transverse optical modes can significantly renormalize electron and hole polaron binding energies at elevated temperature. However, exciton binding energies are only appreciably renormalized by coupling to optical phonons.