Phonon-assisted carrier cooling in h-BN/graphene van der Waals heterostructures

TL;DR

This study uses ab initio methods to analyze how electron-phonon interactions influence hot carrier cooling in h-BN/graphene heterostructures, revealing unique weak coupling at the interface and effects of multilayer configurations.

Contribution

It provides a detailed ab initio analysis of carrier thermalization and phonon interactions at the h-BN/graphene interface, highlighting differences from monolayer and multilayer graphene.

Findings

Multilayer graphene exhibits low-energy optical phonons aiding thermalization.

h-BN/graphene interface shows weak electron-phonon coupling, reducing thermalization.

Bilayer graphene's thermalization time is similar to graphite, unaffected by quantum confinement.

Abstract

Being used in optoelectronic devices as ultra-thin conductor-insulator junctions, detailed investigations are needed about how exactly h-BN and graphene hybridize. Here, we present a comprehensive ab initio study of hot carrier dynamics governed by electron-phonon scattering at the h-BN/graphene interface, using graphite (bulk), monolayer and bilayer graphene as benchmark materials. In contrast to monolayer graphene, all multilayer structures possess low-energy optical phonon modes that facilitate carrier thermalization. We find that the h-BN/graphene interface represents an exception with comparatively weak coupling between low-energy optical phonons and electrons. As a consequence, the thermalization bottleneck effect, known from graphene, survives hybridization with h-BN but is substantially reduced in all other bilayer and multilayer cases considered. In addition, we show that the quantum confinement in bilayer graphene does not have a significant influence on the thermalization time compared to graphite and that bilayer graphene can hence serve as a minimal model for the bulk counterpart.