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Lookup NU author(s): Dr Jose Coutinho,
Professor Patrick Briddon
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The interaction of a single hydrogen atom with a substitutional chalcogen impurity (S, Se, or Te) is investigated by ab-initio modeling. In Se-H and Te-H complexes, the proton sits at an anti-bonding site relative to a nearest neighbor silicon atom, but two competitive trigonal structures for S-H are found. All the singly hydrogenated complexes are predicted to behave as shallow donors with levels lying above those of the substitutional S, Se and Te double donors. A comparison of our results with experimental data suggests an assignment of the Si-NL60 EPR signal to Se-H.
Author(s): Coutinho J, Torres VJB, Jones R, Resende A, Briddon PR
Publication type: Article
Publication status: Published
Journal: Physica Status Solidi (B) Basic Research
ISSN (print): 0370-1972
Publisher: Elsevier BV
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