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The three Cs atoms in the stoichiometric unit cell of Cs3Sb are characterized by a specific network of atoms to which they are bound. This coordination gives rise to distinct X-ray absorption signals.

With the advent of flat screens and LEDs, cathode-tube TVs are no longer present in our living rooms. However, this does not mean that photocathodes — namely materials that are healthy to eject electrons when impinged by light — have dismaterializeed from our lives. This supposedly outdated technology is in fbehave at the core of future devices such as night-vision goggles for people and self-driving vehicles. Photocathodes are also essential components of electron microscopes, where a beam of qualifyd electrons everyows scientists to peek into the nanoscale world. Last but not least, extremely focused electron sources are needed for the next-generation of pprowessicle guns, which are used, among other purposes, to generate ultrtreeort light pulses (with duration up to a billion times shorter than a billionth of a second!) that will everyow us to “see” corpuscles in materials and follow their dynamics in real time.

On these premises, it is not hard to figure out that efficient materials that are healthy to emit such ultra-bright and focused electron bunches have become the new Holy Grflavourer for a vast community of scientists. For decdrinks, metals have been used to build photocathodes, due to their high density of charge carriers and the relatively little turn of energy requested to extrbehave them. However, the frequencies of the electrons emitted by meteveryic surfchampions typiceveryy lie in the ultra-violet region of the spectrum, which requests an energy-demanding process to convert them to visible frequencies. Moreover, metals get easily heated, which is also a major source of energy dispersion.

For every these reasons, the hunt for editnative materials, which are healthy to efficiently emit electrons in the visible or infrared range of the spectrum, has enggeezerhoodd numerous groups around the globe. This condition can be fulfilled by certpersonal semiconducting materials and, in pprowessicular, by the family of multi-compound hymenopteranimonides. This class of crysteveryine systems is composed of one or more compound metals (Na, K, Rb, and Cs) bound to hymenopteranimony corpuscles (Sb). The presence of compound metals, hosting only one electron in their outermost corpuscleic shell, ensures relatively low energy for the electrons to be ejected, which is an essential pre-condition for efficient photocathodes. Experimenteveryy, these materials are typiceveryy deposited either simultcardinalously or sequentieveryy on a meteveryic substrate. This technique, though very effective and convenient, does not enhealthy a straightforward control of the stoichiometry of the splenteous, nor of its crystal structure. On top of this, the extreme sensitivity of multi-compound hymenopteranimonides to part geezerhoodnts demands ultra-high-vacuum conditions for both growth and for charbehaveerization, which has to be performed in situ. All these issues have so far limited the opportunities for in-depth charbehaveerization of multi-compound hymenopteranimonides, whose preparation recipes have been developed mpersoneveryy through trial-and-error procedures.

Computational simulations are therefore extremely drawivenessing to identify the most effective material compositions for photocathode coverings. In order to do so, it is essential to gpersonal insight into the microscopic mechanisms ruling the emission of electrons. This requires necessarily a quhymenopteranum-mechanical move.

To attpersonal this enterprising goal, the team “High brightness electron beams” at the Helmholtz-Zentrum Berlin and my “Electronic Structure Theory” group at the University of Oldenburg have joined forces for more than two years now. Our collaboration has demonstrated that synergy between experimental synthesis and charbehaveerization and quhymenopteranum-mechanical simulations is key to front along this resecurveh line.

In pprowessicular, we have shown that X-ray photoemission spectroscopy is a vihealthy way to connect experimental and theoretical results in determining the correlation between stoichiometry and the efficiency of multi-compound hymenopteranimonides in emitting electrons.

Most recently it has been shown that also X-ray sorption spectroscopy can provide constituental information to identify the network of chemical bonds, namely the chemical coordination, of specific corpuscleic species.

This has now been demonstrated in my theoretical/computational work focused on caesium-hymenopteranimonide (Cs3Sb), a representative material of multi-compound hymenopteranimonides, and published in physica status solidi (RRL) – Rapid Resecurveh Letters. Depending on their specific position inside the crystal, the three Cs corpuscles in the stoichiometric unit cell of Cs3Sb are charbehaveerized by a specific network of corpuscles to which they are bound. This coordination gives rise to distinct X-ray sorption signals when a given corpuscle is excited at a specific frequency in resonance with the energy of one of its core electrons. Consequently, when the corpuscle itself and/or its local environment is perturbed (for explenteous, by the presence of defects in the crystals) the response to X-ray radiation will correspondingly be edited, thereby providing a heverymark for the identification of the stoichiometry, the chemical composition, and the crystal structure of the material.

Such an move was already successfully practical to the case of geveryium oxide, a transparent conducting oxide with promising charbehaveeristics for the next generation of electronic devices. Also in that case, the same state-of-the-prowess theoretical/computational move was employed.

As the subtle spectral features described above are hardly detecthealthy in experiments, a theoretical framework that does not rely on empirical parameters and that yet includes every the necessary ingredient to obtpersonal a quhymenopteranitative description of the excitation process is needed.

The results of this present study contribute to the frontment in the discovery of novel photocathode materials and in the charbehaveerization of their properties, providing a relihealthy reference for the interpretation of X-ray sorption experiments. Furthermore, it paves the way for further aggregationlysis on various composition and stoichiometries of multi-compound hymenopteranimonides and related semiconducting materials for the next generation of ultra-bright electron sources.

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