TY - JOUR
T1 - Stability and dynamics of frenkel pairs in Si
AU - Beck, M. J.
AU - Tsetseris, L.
AU - Pantelides, S. T.
PY - 2007/11/20
Y1 - 2007/11/20
N2 - Extensive experiments and calculation have shown that interstitials in p-Si diffuse athermally, leading to the conclusion that vacancy-interstitial pairs, or Frenkel pairs (FPs), either rapidly recombine or dissociate, even at cryogenic temperatures. More recent experiments, however, suggest that FPs persist to 150 K. Here we report first-principles calculations of FP properties and resolve the apparent conflict between experiments by showing that athermal interstitial diffusion is suppressed in proximal FPs due to vacancy-interstitial interactions.
AB - Extensive experiments and calculation have shown that interstitials in p-Si diffuse athermally, leading to the conclusion that vacancy-interstitial pairs, or Frenkel pairs (FPs), either rapidly recombine or dissociate, even at cryogenic temperatures. More recent experiments, however, suggest that FPs persist to 150 K. Here we report first-principles calculations of FP properties and resolve the apparent conflict between experiments by showing that athermal interstitial diffusion is suppressed in proximal FPs due to vacancy-interstitial interactions.
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U2 - 10.1103/PhysRevLett.99.215503
DO - 10.1103/PhysRevLett.99.215503
M3 - Article
AN - SCOPUS:36248955125
SN - 0031-9007
VL - 99
JO - Physical Review Letters
JF - Physical Review Letters
IS - 21
M1 - 215503
ER -