Abstract
The rovibrational-translational states of a hydrogen molecule moving in a cage site in Si, when subjected to
an electrical field arising from its surroundings, are investigated. The wave functions are expressed in terms of
basis functions consisting of the eigenfunctions of the molecule confined to move in the cavity and rovibrational
states of the free molecule. The energy levels, intensities of infrared and Raman transitions, effects of
uniaxial stress, and a neighboring oxygen defect are found and compared with existing experimental data.
| Original language | English |
|---|---|
| Article number | 121205(R) |
| Number of pages | 4 |
| Journal | Physical Review B: Condensed Matter and Materials Physics |
| Volume | 67 |
| Issue number | 12 |
| DOIs | |
| Publication status | Published - 9 Mar 2003 |
Keywords
- infrared
- hydrogen molecules
- Si
- electrical field
- Raman transitions
- nanoscience