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Identification of the hexavacancy in silicon with the B804 optical center

Lookup NU author(s): Professor Patrick Briddon

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Abstract

The ring hexavacancy (V6) has been found by previous theoretical modeling to be a particularly stable defect, but it has not been identified with any observed center to date. Here, we use ab initio calculations to derive the structure and properties of two forms of V6H2 and identify these defects with the trigonal optical centers B41 and B711, which are known to contain two hydrogen atoms in equivalent and inequivalent sites, respectively. It follows from the calculations that V6 should also be optically active and we identify it with the B804 (J line) center. This allows us to place the acceptor level of V6 at Ec-0.04 eV. ©2000 The American Physical Society.

Publication metadata

Author(s): Hourahine B, Jones R, Safonov AN, Oberg S, Briddon PR, Estreicher SK

Publication type: Article

Publication status: Published

Journal: Physical Review B - Condensed Matter and Materials Physics

Year: 2000

Volume: 61

Issue: 19

Pages: 12594-12597

Print publication date: 01/01/2000

ISSN (print): 1098-0121

ISSN (electronic): 1550-235X

Publisher: American Physical Society

URL: http://dx.doi.org/10.1103/PhysRevB.61.12594

DOI: 10.1103/PhysRevB.61.12594

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