Identification of the hexavacancy in silicon with the B_4^80 optical center

B. Hourahine, R. Jones, A. N. Safonov, S. Öberg, P. R. Briddon, S. K. Estreicher

Research output: Contribution to journalArticle

38 Citations (Scopus)

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 B171, 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 B480 (J line) center. This allows us to place the acceptor level of V6 at Ec−0.04 eV.
Original languageEnglish
Pages (from-to)12594-12597
Number of pages4
JournalPhysical Review B (Condensed Matter)
Volume61
Issue number19
DOIs
Publication statusPublished - 15 May 2000

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silicon
defects
hydrogen atoms
rings

Keywords

  • ring hexavacancy
  • defects
  • ab initio calculations
  • trigonal optical centers
  • hydrogen

Cite this

Hourahine, B., Jones, R., Safonov, A. N., Öberg, S., Briddon, P. R., & Estreicher, S. K. (2000). Identification of the hexavacancy in silicon with the B_4^80 optical center. Physical Review B (Condensed Matter), 61(19), 12594-12597. https://doi.org/10.1103/PhysRevB.61.12594
Hourahine, B. ; Jones, R. ; Safonov, A. N. ; Öberg, S. ; Briddon, P. R. ; Estreicher, S. K. / Identification of the hexavacancy in silicon with the B_4^80 optical center. In: Physical Review B (Condensed Matter). 2000 ; Vol. 61, No. 19. pp. 12594-12597.
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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 B171, 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 B480 (J line) center. This allows us to place the acceptor level of V6 at Ec−0.04 eV.",
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Hourahine, B, Jones, R, Safonov, AN, Öberg, S, Briddon, PR & Estreicher, SK 2000, 'Identification of the hexavacancy in silicon with the B_4^80 optical center', Physical Review B (Condensed Matter), vol. 61, no. 19, pp. 12594-12597. https://doi.org/10.1103/PhysRevB.61.12594

Identification of the hexavacancy in silicon with the B_4^80 optical center. / Hourahine, B.; Jones, R.; Safonov, A. N.; Öberg, S.; Briddon, P. R.; Estreicher, S. K.

In: Physical Review B (Condensed Matter), Vol. 61, No. 19, 15.05.2000, p. 12594-12597.

Research output: Contribution to journalArticle

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T1 - Identification of the hexavacancy in silicon with the B_4^80 optical center

AU - Hourahine, B.

AU - Jones, R.

AU - Safonov, A. N.

AU - Öberg, S.

AU - Briddon, P. R.

AU - Estreicher, S. K.

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AB - 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 B171, 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 B480 (J line) center. This allows us to place the acceptor level of V6 at Ec−0.04 eV.

KW - ring hexavacancy

KW - defects

KW - ab initio calculations

KW - trigonal optical centers

KW - hydrogen

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DO - 10.1103/PhysRevB.61.12594

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JO - Physical Review B (Condensed Matter)

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