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Photoionization-induced reflection for benchmarking of the photoionization models in solid

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posted on 2024-04-17, 16:00 authored by Anton Husakou, Zukhriddin Ruziev, Kamoliddin Koraboev, Felipe Morales, Maria Richter, Kazuhiro Yabana
The choice of the most suitable analytic photoionization model in solids is a challenging task with no default solution. Here we show how the best formalism can be determined based on the waveform of the pulse reflected by a sample due to photoionized almost-free electrons in the conduction band. For a typical case of diamond, we compare three simple models and benchmark them against highly accurate first-principle TDDFT simulation, by analysing the fit between the reflected pulses in time and frequency domain. For the aims of this paper, we have developed a software package, called PIGLET, for the FDTD simulation of photoionization-governed propagation, which is now freely available for the scientific community. Furthermore, we show that due to interband contributions for very short sub-10-fs pulses a semi-classical description based on any analytical photoionization model fail to provide an adequate description.

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