Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals

Year: 2015

Type: article

Abstract: Hot carriers (HC) generated by surface plasmon polaritons (SPPs) in noble metals are promising for application in optoelectronics, plasmonics and renewable energy. However, existing models fail to explain key quantitative details of SPP-to-HC conversion experiments. Here we develop a quantum mechanical framework and apply first-principles calculations to study the energy distribution and scattering processes of HCs generated by SPPs in Au and Ag. We find that the relative positions of the s and d bands of noble metals regulate the energy distribution and mean free path of the HCs, and that the electron-phonon interaction controls HC energy loss and transport. Our results prescribe optimal conditions for HC generation and extraction, and invalidate previously employed free-electron-like models. Our work combines density functional theory, GW and electron-phonon calculations to provide microscopic insight into HC generation and ultrafast dynamics in noble metals.

Source: Nature Communications

DOI: 10.1038/ncomms8044

Authors: Marco Bernardi, Jamal Mustafa, Jeffrey B. Neaton, Steven G. Louie

Institutions: Lawrence Berkeley National Laboratory, University of California, Berkeley, Kavli Energy NanoScience Institute, Molecular Foundry

Language: English

Topic: Plasmonic and Surface Plasmon Research

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $6,990

Funders: National Science Foundation, U.S. Department of Energy, National Energy Research Scientific Computing Center, Office of Science, Division of Materials Research, Basic Energy Sciences, Advanced Scientific Computing Research, Lawrence Berkeley National Laboratory

OpenAlex ID: W2162824276