Stable hydrogen pair trapped at carbon impurities in silicon

V. P. Markevich; B. Hourahine; R. C. Newman; R. Jones; M. Kleverman; J. L. Lindström; L. I. Murin; M. Suezawa; S. Öberg; P. R. Briddon

doi:10.4028/www.scientific.net/DDF.221-223.1

Stable hydrogen pair trapped at carbon impurities in silicon

V. P. Markevich, B. Hourahine, R. C. Newman, R. Jones, M. Kleverman, J. L. Lindström, L. I. Murin, M. Suezawa, S. Öberg, P. R. Briddon

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1 Citation (Scopus)

Abstract

Local mode spectroscopy and ab initio modeling are used to investigate two trigonal defects found in carbon rich Si into which H had been in-diffused. Isotopic shifts with D and ¹³C are reported along with the effect of uniaxial stress. Ab-in itio modeling studies suggest that the two defects are two forms of the CH^*₂ complex where one of the two hydrogen atoms lies at an anti-bonding site attached to C or Si respectively. The two structures are nearly degenerate and possess vibrational m odes in good agreement with those observed experimentally. The defects are energetica lly favorable in comparison with separated C_s and H₂ in Si and may represent aggregation sites for hydrogen.

Original language	English
Pages (from-to)	1-9
Number of pages	9
Journal	Defect and Diffusion Forum
Volume	221-223
DOIs	https://doi.org/10.4028/www.scientific.net/DDF.221-223.1
Publication status	Published - 30 Nov 2003

Keywords

silicon
hydrogen
carbon
impurity complexes
absorption bands

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Markevich, V. P., Hourahine, B., Newman, R. C., Jones, R., Kleverman, M., Lindström, J. L., ... Briddon, P. R. (2003). Stable hydrogen pair trapped at carbon impurities in silicon. Defect and Diffusion Forum, 221-223, 1-9. https://doi.org/10.4028/www.scientific.net/DDF.221-223.1

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abstract = "Local mode spectroscopy and ab initio modeling are used to investigate two trigonal defects found in carbon rich Si into which H had been in-diffused. Isotopic shifts with D and 13C are reported along with the effect of uniaxial stress. Ab-in itio modeling studies suggest that the two defects are two forms of the CH*2 complex where one of the two hydrogen atoms lies at an anti-bonding site attached to C or Si respectively. The two structures are nearly degenerate and possess vibrational m odes in good agreement with those observed experimentally. The defects are energetica lly favorable in comparison with separated Cs and H2 in Si and may represent aggregation sites for hydrogen.",

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AU - Markevich, V. P.

AU - Hourahine, B.

AU - Newman, R. C.

AU - Jones, R.

AU - Kleverman, M.

AU - Lindström, J. L.

AU - Murin, L. I.

AU - Suezawa, M.

AU - Öberg, S.

AU - Briddon, P. R.

PY - 2003/11/30

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N2 - Local mode spectroscopy and ab initio modeling are used to investigate two trigonal defects found in carbon rich Si into which H had been in-diffused. Isotopic shifts with D and 13C are reported along with the effect of uniaxial stress. Ab-in itio modeling studies suggest that the two defects are two forms of the CH*2 complex where one of the two hydrogen atoms lies at an anti-bonding site attached to C or Si respectively. The two structures are nearly degenerate and possess vibrational m odes in good agreement with those observed experimentally. The defects are energetica lly favorable in comparison with separated Cs and H2 in Si and may represent aggregation sites for hydrogen.

AB - Local mode spectroscopy and ab initio modeling are used to investigate two trigonal defects found in carbon rich Si into which H had been in-diffused. Isotopic shifts with D and 13C are reported along with the effect of uniaxial stress. Ab-in itio modeling studies suggest that the two defects are two forms of the CH*2 complex where one of the two hydrogen atoms lies at an anti-bonding site attached to C or Si respectively. The two structures are nearly degenerate and possess vibrational m odes in good agreement with those observed experimentally. The defects are energetica lly favorable in comparison with separated Cs and H2 in Si and may represent aggregation sites for hydrogen.

KW - silicon

KW - hydrogen

KW - carbon

KW - impurity complexes

KW - absorption bands

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