Electron-hole pair creation by atoms incident on a metal surface
| Autor: | Trail, J. R., Bird, D. M., Persson, M., Holloway, S. |
|---|---|
| Rok vydání: | 2009 |
| Předmět: | |
| Zdroj: | J. Chem. Phys. 119, 4539 (2003) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1063/1.1593631 |
| Popis: | Electron-hole pair creation by an adsorbate incident on a metal surface is described using \textit{ab initio} methods. The approach starts with standard first principles electronic structure theory, and proceeds to combine classical, quantum oscillator and time dependent density functional methods to provide a consistent description of the non-adiabatic energy transfer from adsorbate to substrate. Of particular interest is the conservation of the total energy at each level of approximation, and the importance of a spin transition as a function of the adsorbate/surface separation. Results are presented and discussed for H and D atoms incident on the Cu(111) surface. Comment: 13 pages, 9 figures |
| Databáze: | arXiv |
| Externí odkaz: |
|