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Local vibrations of thermal double donors in silicon
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© 2002 American Physical Society (APS). This is the accepted version of the following article: Lee, Y. J. & Pesola, M. & von Boehm, J. & Nieminen, Risto M. 2002. Local vibrations of thermal double donors in silicon. Physical Review B. Volume 66, Issue 7. 075219/1-4. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.66.075219, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.66.075219.
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en
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075219/1-4
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Physical Review B, Volume 66, Issue 7
Abstract
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).
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Lee, Y. J. & Pesola, M. & von Boehm, J. & Nieminen, Risto M. 2002. Local vibrations of thermal double donors in silicon. Physical Review B. Volume 66, Issue 7. 075219/1-4. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.66.075219.