Stable hydrogen pair trapped at carbon impurities in silicon

Research output: Contribution to journalArticle


Local mode spectroscopy and ab initio modeling are used to investigate two trigonal defects found in carbon rich Si into which H had been in-diffused. Isotopic shifts with D and C-13 are reported along with the effect of uniaxial stress. Ab-initio modeling studies suggest that the two defects are two forms of the CH2* complex where one of the two hydrogen atoms lies at an anti-bonding site attached to C or Si respectively. The two structures are nearly degenerate and possess vibrational modes in good agreement with those observed experimentally. The defects are energetically favorable in comparison with separated C-s and H-2 in Si and may represent aggregation sites for hydrogen.


  • VP Markevich
  • B Hourahine
  • RC Newman
  • R Jones
  • Mats Kleverman
  • Lennart Lindström
  • LI Murin
  • M Suezawa
  • S Oberg
  • PR Briddon
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Condensed Matter Physics


  • impurity complexes, hydrogen, absorption bands, carbon, silicon
Original languageEnglish
Pages (from-to)1-9
JournalDefect and Diffusion Forum
Publication statusPublished - 2003
Publication categoryResearch