Ab initio Self-consistent GW Calculations in Non-Equilibrium Devices: Auger Recombination and Electron-Electron Scattering

Leonard Deuschle; Jonathan Backman; Mathieu Luisier; Jiang Cao

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arXiv · 2307.05297

Ab initio Self-consistent GW Calculations in Non-Equilibrium Devices: Auger Recombination and Electron-Electron Scattering

Leonard Deuschle·Jonathan Backman·Mathieu Luisier·Jiang Cao

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Abstract

We present first-principles quantum transport simulations of single-walled carbon nanotubes based on the NEGF method and including carrier-carrier interactions within the self-consistent GW approximation. Motivated by the characteristic enhancement of interaction between charge carriers in one-dimensional systems, we show that the developed framework can predict Auger recombination, hot carrier relaxation, and impact ionization in this type of nanostructures. Using the computed scattering rates, we infer the inverse electron-hole pair lifetimes for different Auger processes in several device configurations.

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Leonard Deuschle, Jonathan Backman, Mathieu Luisier, Jiang Cao. 2023-07-11. Ab initio Self-consistent GW Calculations in Non-Equilibrium Devices: Auger Recombination and Electron-Electron Scattering. https://arxiv.org/abs/2307.05297

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