Atomic-scale mechanisms for low-NIEL dopant-type dependent damage in Si

M. J. Beck, L. Tsetseris, M. Caussanel, R. D. Schrimpf, D. M. Fleetwood, S. T. Pantelides

Research output: Contribution to journalArticlepeer-review

14 Scopus citations


While calculated non-ionizing energy loss (NIEL) generally correlates well to first order with radiation-induced displacement damage rates, it does not account for some well-known differences in damage rates for n- and p-type Si. Here we show that the magnitude of these differences, Δ Kn-p, correlates closely with the fraction of total displacement damage due to low-energy primary knock-on atom (PKA) recoils. The primary products of these displacement damage events, with PKA recoils < ∼ 2 keV, are close vacancy-interstitial pairs, or Frenkel Pairs (FPs). Based on previous studies of vacancy-dopant complex stabilities in Si, and new parameter-free quantum mechanical calculations of FP properties, details of the stable defect profiles arising from low-energy PKA recoil events are shown to give rise to non-zero values of Δ Kn-p.

Original languageEnglish
Pages (from-to)3621-3628
Number of pages8
JournalIEEE Transactions on Nuclear Science
Issue number6
StatePublished - Dec 2006

Bibliographical note

Funding Information:
Manuscript received July 14, 2006; revised August 25, 2006. This work supported by the Air Force Office of Scientific Research (AFOSR) MURI program. Part of the calculations used resources at the Maui High Performance Computing Center, an Air Force Research Laboratory Center managed by the University of Hawaii.


  • Density functional theory
  • Displacement damage
  • Electron traps
  • Frenkel pairs

ASJC Scopus subject areas

  • Nuclear and High Energy Physics
  • Nuclear Energy and Engineering
  • Electrical and Electronic Engineering


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