A fully ab initio approach to inelastic atom-surface scattering
Fuente:
arXiv
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| Autores principales: | , , |
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| Formato: | Preprint |
| Publicado: |
2023
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| Materias: | |
| Acceso en línea: | |
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| _version_ | 1866913186267004928 |
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| author | Kelley, Michelle M. Sundararaman, Ravishankar Arias, Tomás A. |
| author_facet | Kelley, Michelle M. Sundararaman, Ravishankar Arias, Tomás A. |
| contents | We introduce a fully ab initio theory for inelastic scattering of any atom from any surface exciting single phonons, and apply the theory to helium scattering from Nb(100). The key aspect making our approach general is a direct first-principles evaluation of the scattering atom-electron vertex. By correcting misleading results from current state-of-the-art theories, this fully ab initio approach will be critical in guiding and interpreting experiments that adopt next-generation, non-destructive atomic beam scattering. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2306_01892 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | A fully ab initio approach to inelastic atom-surface scattering Kelley, Michelle M. Sundararaman, Ravishankar Arias, Tomás A. Materials Science Other Condensed Matter Quantum Physics We introduce a fully ab initio theory for inelastic scattering of any atom from any surface exciting single phonons, and apply the theory to helium scattering from Nb(100). The key aspect making our approach general is a direct first-principles evaluation of the scattering atom-electron vertex. By correcting misleading results from current state-of-the-art theories, this fully ab initio approach will be critical in guiding and interpreting experiments that adopt next-generation, non-destructive atomic beam scattering. |
| title | A fully ab initio approach to inelastic atom-surface scattering |
| topic | Materials Science Other Condensed Matter Quantum Physics |
| url | https://arxiv.org/abs/2306.01892 |