Local vibrations of thermal double donors in silicon

Y.-J. Lee, M. Pesola, J. von Boehm, R.M. Nieminen

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The local vibrational modes (LVM’s) of the oxygen chains assigned to thermal double donors (TDD’s) and other related oxygen defects in silicon are studied using accurate total-energy calculations. We find that the calculated LVM frequencies as well as their isotopic shifts and charge-state dependences (temperature dependences) for the oxygen chains agree closely with the corresponding experimental quantities, which supports our assignments of the O2i−O2r chain to TDD1 and the Oi−Onr−Oi chains to TDDn (n>1) (Oi is an interstitial oxygen and Or a threefold coordinated oxygen belonging to a ring).
Original languageEnglish
Article number075219
Pages (from-to)1-4
JournalPhysical Review B
Issue number7
Publication statusPublished - 2002
MoE publication typeA1 Journal article-refereed


  • local cibrational modes
  • oxygen in silicon
  • thermal double donors


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