Auger-induced charge migration

TL;DR

This paper demonstrates a novel method of inducing charge migration in molecules using attosecond x-ray pulses that create core-hole states, leading to subfemtosecond charge transfer via Auger processes.

Contribution

It introduces a new approach to control molecular charge dynamics through x-ray induced core-hole states and Auger electron relaxations, expanding beyond traditional valence ionization methods.

Findings

Demonstrates double-hole charge migration in fluoroacetylene

Shows that x-ray photoionization can trigger subfemtosecond charge transfer

Highlights the role of Auger processes in electron correlation-driven dynamics

Abstract

Novel perspectives of controlling molecular systems have recently arisen from the possibility of generating attosecond pulses in the ultraviolet regime and tailoring electron dynamics in its natural time scale. The cornerstone mechanism is the so-called charge migration, he production of a coherent charge transfer with subfemtosecond oscillations across a molecule. Typically, charge migration is induced by the ionization of valence molecular orbitals. However, recent technological developments allow the generation of attosecond pulses in the x-ray regime. In this case, the absorption of photons creates core-hole states. In light elements, core-hole states mainly decay by Auger processes that, driven by electron correlations, involve valence orbitals. We theoretically demonstrate in a fluoroacetylene molecule a double-hole charge migration triggered by attosecond core-electron photoionization, followed by Auger electron relaxations. This opens a new route for inducing with x rays charge transfer processes in the subfemtosecond time scale.