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Shallow donor activity of S-H, Se-H, and Te-H complexes in silicon

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.

Publication metadata

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

Year: 2003

Volume: 235

Issue: 1

Pages: 107-110

ISSN (print): 0370-1972

ISSN (electronic):

Publisher: Elsevier BV


DOI: 10.1002/pssb.200301543


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