Ab initio Maxwell-Bloch Approach for X-Ray Excitations in Two-Dimensional Materials
Fuente:
arXiv
Salvato in:
| Autori principali: | , , , , , |
|---|---|
| Natura: | Preprint |
| Pubblicazione: |
2025
|
| Soggetti: | |
| Accesso online: | |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne!!
|
| _version_ | 1866916691628261376 |
|---|---|
| author | Sturm, Joris Maliyov, Ivan Christiansen, Dominik Selig, Malte Bernardi, Marco Knorr, Andreas |
| author_facet | Sturm, Joris Maliyov, Ivan Christiansen, Dominik Selig, Malte Bernardi, Marco Knorr, Andreas |
| contents | The combination of Maxwell and X-ray Bloch equations forms an appropriate framework to describe ultrafast time-resolved X-ray experiments on attosecond time scale in crystalline solids. However, broadband experiments such as X-ray absorption near edge spectroscopy or resonant inelastic X-ray scattering require a detailed knowledge of the electronic structure and transition matrix elements. Here, we show how to fill this gap by combining the Maxwell-X-ray Bloch formalism with first-principles calculations treating explicitly the core states. The resulting X-ray absorption spectrum recovers key spectral signatures which were missing in our previous work relying on a semi-empirical tight-binding approach. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2504_11226 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Ab initio Maxwell-Bloch Approach for X-Ray Excitations in Two-Dimensional Materials Sturm, Joris Maliyov, Ivan Christiansen, Dominik Selig, Malte Bernardi, Marco Knorr, Andreas Materials Science Mesoscale and Nanoscale Physics The combination of Maxwell and X-ray Bloch equations forms an appropriate framework to describe ultrafast time-resolved X-ray experiments on attosecond time scale in crystalline solids. However, broadband experiments such as X-ray absorption near edge spectroscopy or resonant inelastic X-ray scattering require a detailed knowledge of the electronic structure and transition matrix elements. Here, we show how to fill this gap by combining the Maxwell-X-ray Bloch formalism with first-principles calculations treating explicitly the core states. The resulting X-ray absorption spectrum recovers key spectral signatures which were missing in our previous work relying on a semi-empirical tight-binding approach. |
| title | Ab initio Maxwell-Bloch Approach for X-Ray Excitations in Two-Dimensional Materials |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2504.11226 |