Combined infrared absorption and modeling study of a dicarbon-dihydrogen defect in silicon

E. V. Lavrov, L. Hoffmann, B. Bech Nielsen, B. Hourahine, R. Jones, S. Öberg, P. R. Briddon

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

Crystalline silicon samples doped with carbon were irradiated with electrons and subsequently implanted with protons. Infrared-absorption measurements revealed local modes of hydrogen and carbon at 2967.4, 911.7, and 654.7cm−1, which originate from the same defect. Measurements on samples codoped with different carbon and hydrogen isotopes showed that the defect contains two equivalent carbon and two equivalent hydrogen atoms. From uniaxial stress measurements, the defect is found to display trigonal symmetry. Ab initio local-density-functional theory was applied to calculate the structure and local vibrational modes of defects with pairs of equivalent carbon and hydrogen atoms. Based on these results, the observed local modes are ascribed to a defect with two adjacent substitutional carbon atoms, each of which binds a hydrogen atom located between the carbon atoms.
LanguageEnglish
Pages12859-12867
Number of pages9
JournalPhysical Review B (Condensed Matter)
Volume62
Issue number19
DOIs
Publication statusPublished - 15 Nov 2000

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infrared absorption
carbon
defects
silicon
hydrogen atoms
atoms
carbon isotopes
hydrogen isotopes
stress measurement
vibration mode
density functional theory
protons
symmetry
hydrogen
electrons

Keywords

  • crystalline silicon
  • carbon
  • irradiation
  • infrared absorption
  • defects

Cite this

Lavrov, E. V. ; Hoffmann, L. ; Bech Nielsen, B. ; Hourahine, B. ; Jones, R. ; Öberg, S. ; Briddon, P. R. / Combined infrared absorption and modeling study of a dicarbon-dihydrogen defect in silicon. In: Physical Review B (Condensed Matter). 2000 ; Vol. 62, No. 19. pp. 12859-12867.
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abstract = "Crystalline silicon samples doped with carbon were irradiated with electrons and subsequently implanted with protons. Infrared-absorption measurements revealed local modes of hydrogen and carbon at 2967.4, 911.7, and 654.7cm−1, which originate from the same defect. Measurements on samples codoped with different carbon and hydrogen isotopes showed that the defect contains two equivalent carbon and two equivalent hydrogen atoms. From uniaxial stress measurements, the defect is found to display trigonal symmetry. Ab initio local-density-functional theory was applied to calculate the structure and local vibrational modes of defects with pairs of equivalent carbon and hydrogen atoms. Based on these results, the observed local modes are ascribed to a defect with two adjacent substitutional carbon atoms, each of which binds a hydrogen atom located between the carbon atoms.",
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Lavrov, EV, Hoffmann, L, Bech Nielsen, B, Hourahine, B, Jones, R, Öberg, S & Briddon, PR 2000, 'Combined infrared absorption and modeling study of a dicarbon-dihydrogen defect in silicon' Physical Review B (Condensed Matter), vol. 62, no. 19, pp. 12859-12867. https://doi.org/10.1103/PhysRevB.62.12859

Combined infrared absorption and modeling study of a dicarbon-dihydrogen defect in silicon. / Lavrov, E. V.; Hoffmann, L.; Bech Nielsen, B.; Hourahine, B.; Jones, R.; Öberg, S.; Briddon, P. R.

In: Physical Review B (Condensed Matter), Vol. 62, No. 19, 15.11.2000, p. 12859-12867.

Research output: Contribution to journalArticle

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T1 - Combined infrared absorption and modeling study of a dicarbon-dihydrogen defect in silicon

AU - Lavrov, E. V.

AU - Hoffmann, L.

AU - Bech Nielsen, B.

AU - Hourahine, B.

AU - Jones, R.

AU - Öberg, S.

AU - Briddon, P. R.

PY - 2000/11/15

Y1 - 2000/11/15

N2 - Crystalline silicon samples doped with carbon were irradiated with electrons and subsequently implanted with protons. Infrared-absorption measurements revealed local modes of hydrogen and carbon at 2967.4, 911.7, and 654.7cm−1, which originate from the same defect. Measurements on samples codoped with different carbon and hydrogen isotopes showed that the defect contains two equivalent carbon and two equivalent hydrogen atoms. From uniaxial stress measurements, the defect is found to display trigonal symmetry. Ab initio local-density-functional theory was applied to calculate the structure and local vibrational modes of defects with pairs of equivalent carbon and hydrogen atoms. Based on these results, the observed local modes are ascribed to a defect with two adjacent substitutional carbon atoms, each of which binds a hydrogen atom located between the carbon atoms.

AB - Crystalline silicon samples doped with carbon were irradiated with electrons and subsequently implanted with protons. Infrared-absorption measurements revealed local modes of hydrogen and carbon at 2967.4, 911.7, and 654.7cm−1, which originate from the same defect. Measurements on samples codoped with different carbon and hydrogen isotopes showed that the defect contains two equivalent carbon and two equivalent hydrogen atoms. From uniaxial stress measurements, the defect is found to display trigonal symmetry. Ab initio local-density-functional theory was applied to calculate the structure and local vibrational modes of defects with pairs of equivalent carbon and hydrogen atoms. Based on these results, the observed local modes are ascribed to a defect with two adjacent substitutional carbon atoms, each of which binds a hydrogen atom located between the carbon atoms.

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KW - carbon

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