Exploring x-ray irradiation conditions for triggering ultrafast diamond graphitization

TL;DR

This paper investigates the conditions under which intense femtosecond x-ray pulses can induce phase transitions in diamond, emphasizing the importance of photoelectron transport and simulation for optimizing experimental outcomes.

Contribution

It introduces Monte Carlo simulations to analyze x-ray-induced phase transitions in diamond, highlighting the impact of photoelectron escape on triggering structural changes.

Findings

Photoelectron escape limits phase transition efficiency.

Simulation predicts optimal x-ray doses for graphitization.

Ballistic transport analysis informs experimental design.

Abstract

Intense femtosecond x-ray pulses produced by an x-ray free-electron laser can trigger irreversible structural transitions in crystalline solids. For instance, irradiation of diamond can lead to graphitization and, at higher deposited doses, to amorphization. Our Monte Carlo simulations of irradiated diamond under realistic experimental conditions demonstrate that triggering graphitization or other phase transitions with hard x-ray photons can be challenging due to the ballistic escape of photoelectrons out of the beam focus. Decisive parameter here is the photoelectron range in proportion to the focal beam size. For future experiments on x-ray-induced transitions, such dedicated simulations of ballistic transport preceding the beamtime will be necessary. They can predict experimental conditions under which the desired distribution of the absorbed x-ray dose in the irradiated solid can be achieved.