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Electrical activity of chalcogen-hydrogen defects in silicon

Lookup NU author(s): Dr Jose Coutinho, Professor Patrick Briddon


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The interaction of hydrogen with substitutional chalcogen impurities (S, Se, or Te) is investigated by ab initio modeling. In Se-Hn and Te-Hn complexes (n = 1,2), protons are located at sites antibonding to nearest-neighbor silicon atoms. For sulfur, two competitive sites for S-H are found, resulting in two nearly degenerate structures. All the singly hydrogenated complexes are predicted to be shallow donors with levels lying above those of the substitutional S, Se, and Te double donors. In contrast, doubly hydrogenated chalcogen impurities are predicted to be electrically inert. A comparison of our results with experimental data suggests that the NL60 and NL61 electron-paramagnetic-resonance centers can be identified with two Se-H defects, where H is antibonded to a Si neighbor of Se.

Publication metadata

Author(s): Coutinho J, Torres VJB, Jones R, Briddon PR

Publication type: Article

Publication status: Published

Journal: Physical Review B

Year: 2003

Volume: 67

Issue: 3

ISSN (print): 0163-1829

ISSN (electronic): 1550-235X

Publisher: American Physical Society


DOI: 10.1103/PhysRevB.67.035205

Notes: Article no. 035205 11 pages


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