Carbon incorporation pathways and lattice sites in Si 1-yC y alloys grown on Si(001) by molecular-beam epitaxy

S. Y. Park, J. D'Arcy-Gall, D. Gall, J. A.N.T. Soares, Y. W. Kim, H. Kim, P. Desjardins, J. E. Greene, S. G. Bishop

Research output: Contribution to journalArticle

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Abstract

We use a combination of in situ and postdeposition experimental probes together with ab initio calculations of strain coefficients and formation energies associated with specific C configurations in the Si lattice to determine C incorporation pathways and lattice site distributions in fully coherent Si 1-yC y alloy layers grown by molecular-beam epitaxy on Si(001) as a function of deposition temperature T s (380°C-680°C) and C fraction y (0-0.026). Lattice strain and Raman spectroscopy measurements demonstrate that all C, irrespective of y, is incorporated into substitutional lattice sites in Si 1-yC y(001) layers grown at T s≤480°C. Increasing T s≥580°C leads to strong C surface segregation, as shown by in situ angle-resolved x-ray photoelectron spectroscopy, yielding additional pathways for C incorporation. Photoluminescence measurements indicate that an increasing fraction of the incorporated C in the higher-temperature layers resides in dicarbon complexes. Reflection high-energy electron diffraction and cross sectional transmission electron microscopy reveal surface roughening at T s≥580°C with the formation of bulk planar structures, interconnected by 113 segments, that are periodic along [001] with a periodicity which decreases with increasing T s. We interpret the planar structures as layers of C-rich Si 1-yC y which form in the presence of excess surface C resulting from segregation. Our ab initio density functional calculations show that substitutional C arranged in an ordered Si 4C phase is 0.34 eV per C atom more stable than isolated substitutional C atoms.

Original languageEnglish
Pages (from-to)5716-5727
Number of pages12
JournalJournal of Applied Physics
Volume91
Issue number9
DOIs
Publication statusPublished - 2002 May 1

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molecular beam epitaxy
carbon
planar structures
energy of formation
high energy electrons
x ray spectroscopy
atoms
periodic variations
electron diffraction
Raman spectroscopy
photoelectron spectroscopy
photoluminescence
transmission electron microscopy
probes
coefficients
configurations
spectroscopy
temperature
energy

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

Park, S. Y., D'Arcy-Gall, J., Gall, D., Soares, J. A. N. T., Kim, Y. W., Kim, H., ... Bishop, S. G. (2002). Carbon incorporation pathways and lattice sites in Si 1-yC y alloys grown on Si(001) by molecular-beam epitaxy. Journal of Applied Physics, 91(9), 5716-5727. https://doi.org/10.1063/1.1465122
Park, S. Y. ; D'Arcy-Gall, J. ; Gall, D. ; Soares, J. A.N.T. ; Kim, Y. W. ; Kim, H. ; Desjardins, P. ; Greene, J. E. ; Bishop, S. G. / Carbon incorporation pathways and lattice sites in Si 1-yC y alloys grown on Si(001) by molecular-beam epitaxy. In: Journal of Applied Physics. 2002 ; Vol. 91, No. 9. pp. 5716-5727.
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Park, SY, D'Arcy-Gall, J, Gall, D, Soares, JANT, Kim, YW, Kim, H, Desjardins, P, Greene, JE & Bishop, SG 2002, 'Carbon incorporation pathways and lattice sites in Si 1-yC y alloys grown on Si(001) by molecular-beam epitaxy', Journal of Applied Physics, vol. 91, no. 9, pp. 5716-5727. https://doi.org/10.1063/1.1465122

Carbon incorporation pathways and lattice sites in Si 1-yC y alloys grown on Si(001) by molecular-beam epitaxy. / Park, S. Y.; D'Arcy-Gall, J.; Gall, D.; Soares, J. A.N.T.; Kim, Y. W.; Kim, H.; Desjardins, P.; Greene, J. E.; Bishop, S. G.

In: Journal of Applied Physics, Vol. 91, No. 9, 01.05.2002, p. 5716-5727.

Research output: Contribution to journalArticle

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T1 - Carbon incorporation pathways and lattice sites in Si 1-yC y alloys grown on Si(001) by molecular-beam epitaxy

AU - Park, S. Y.

AU - D'Arcy-Gall, J.

AU - Gall, D.

AU - Soares, J. A.N.T.

AU - Kim, Y. W.

AU - Kim, H.

AU - Desjardins, P.

AU - Greene, J. E.

AU - Bishop, S. G.

PY - 2002/5/1

Y1 - 2002/5/1

N2 - We use a combination of in situ and postdeposition experimental probes together with ab initio calculations of strain coefficients and formation energies associated with specific C configurations in the Si lattice to determine C incorporation pathways and lattice site distributions in fully coherent Si 1-yC y alloy layers grown by molecular-beam epitaxy on Si(001) as a function of deposition temperature T s (380°C-680°C) and C fraction y (0-0.026). Lattice strain and Raman spectroscopy measurements demonstrate that all C, irrespective of y, is incorporated into substitutional lattice sites in Si 1-yC y(001) layers grown at T s≤480°C. Increasing T s≥580°C leads to strong C surface segregation, as shown by in situ angle-resolved x-ray photoelectron spectroscopy, yielding additional pathways for C incorporation. Photoluminescence measurements indicate that an increasing fraction of the incorporated C in the higher-temperature layers resides in dicarbon complexes. Reflection high-energy electron diffraction and cross sectional transmission electron microscopy reveal surface roughening at T s≥580°C with the formation of bulk planar structures, interconnected by 113 segments, that are periodic along [001] with a periodicity which decreases with increasing T s. We interpret the planar structures as layers of C-rich Si 1-yC y which form in the presence of excess surface C resulting from segregation. Our ab initio density functional calculations show that substitutional C arranged in an ordered Si 4C phase is 0.34 eV per C atom more stable than isolated substitutional C atoms.

AB - We use a combination of in situ and postdeposition experimental probes together with ab initio calculations of strain coefficients and formation energies associated with specific C configurations in the Si lattice to determine C incorporation pathways and lattice site distributions in fully coherent Si 1-yC y alloy layers grown by molecular-beam epitaxy on Si(001) as a function of deposition temperature T s (380°C-680°C) and C fraction y (0-0.026). Lattice strain and Raman spectroscopy measurements demonstrate that all C, irrespective of y, is incorporated into substitutional lattice sites in Si 1-yC y(001) layers grown at T s≤480°C. Increasing T s≥580°C leads to strong C surface segregation, as shown by in situ angle-resolved x-ray photoelectron spectroscopy, yielding additional pathways for C incorporation. Photoluminescence measurements indicate that an increasing fraction of the incorporated C in the higher-temperature layers resides in dicarbon complexes. Reflection high-energy electron diffraction and cross sectional transmission electron microscopy reveal surface roughening at T s≥580°C with the formation of bulk planar structures, interconnected by 113 segments, that are periodic along [001] with a periodicity which decreases with increasing T s. We interpret the planar structures as layers of C-rich Si 1-yC y which form in the presence of excess surface C resulting from segregation. Our ab initio density functional calculations show that substitutional C arranged in an ordered Si 4C phase is 0.34 eV per C atom more stable than isolated substitutional C atoms.

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