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Journal Articles Structural Dynamics Year : 2023

Non-thermal structural transformation of diamond driven by x-rays

Abstract

Intense x-ray pulses can cause the non-thermal structural transformation of diamond. At the SACLA XFEL facility, pump x-ray pulses triggered this phase transition, and probe x-ray pulses produced diffraction patterns. Time delays were observed from 0 to 250 fs, and the x-ray dose varied from 0.9 to 8.0 eV/atom. The intensity of the (111), (220) and (311) diffraction peaks decreased with time indicating a disordering of the crystal lattice. From a Debye-Waller analysis, the rms atomic displacements perpendicular to the (111) planes were observed to be significantly larger than those perpendicular to the (220) or (311) planes. At a long time delay of 33 ms, graphite (002) diffraction indicates that graphitization did occur above a threshold dose of 1.2 eV/atom. These experimental results are in qualitative agreement with XTANT+ simulations using a hybrid model based on density functional tight-binding molecular dynamics.
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hal-04262209 , version 1 (05-11-2023)

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Heimann Phil, Nicholas J Hartley, Inoue Ichiro, Tkachenko Victor, Antoine Andre, et al.. Non-thermal structural transformation of diamond driven by x-rays. Structural Dynamics, 2023, 10 (5), pp.054502. ⟨10.1063/4.0000193⟩. ⟨hal-04262209⟩

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