Infrared activity of hydrogen molecules trapped in Si

B. Hourahine, R. Jones

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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 languageEnglish
Article number121205(R)
Number of pages4
JournalPhysical Review B: Condensed Matter and Materials Physics
Volume67
Issue number12
DOIs
Publication statusPublished - 9 Mar 2003

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Keywords

  • infrared
  • hydrogen molecules
  • Si
  • electrical field
  • Raman transitions
  • nanoscience

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