Radiation-Induced Formation of H2* in Silicon

S. K. Estreicher, J. L. Hastings, P. A. Feeders

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Two kinds of hydrogen dimers have been observed in c-Si: the interstitial H2 molecule and the H2* complex. Theory predicts that H2 and H2* are within a few tenths of an eV of each other, but the two centers have never been observed to coexist. Instead, the irradiation of samples rich in H2 induces its conversion into H2*. No such conversion has been thermally induced, and H2* is seen only in irradiated material. In the present paper, ab initio molecular-dynamics simulations demonstrate in real time how these reactions occur. A vacancy (V) or a self-interstitial (I) break up interstitial H2, resulting in the {V, H, H} or {I, H. H} complex. Then V-I recombination forms H2*, as in {I, H, H} + V → H2*.

Original languageEnglish (US)
Pages (from-to)815-818
Number of pages4
JournalPhysical Review Letters
Issue number4
Publication statusPublished - Jan 25 1999


ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Estreicher, S. K., Hastings, J. L., & Feeders, P. A. (1999). Radiation-Induced Formation of H2* in Silicon. Physical Review Letters, 82(4), 815-818.