Local vibrational modes of two neighboring substitutional carbon atoms in silicon

E. V. Lavrov, B. Bech Nielsen, J. R. Byberg, B. Hourahine, R. Jones, S. Öberg, P. R. Briddon

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

Infrared absorption measurements on n-type silicon doped with carbon and irradiated with electrons at room temperature have revealed new absorption lines at 527.4 and 748.7 cm − 1 , which originate from the same defect. The 7 4 8 . 7 − cm − 1 line is observed only when the sample is cooled in the dark and the spectrum is measured through a low-pass filter with cutoff frequency below 6000 cm − 1 . Light with frequency above 6000 cm − 1 removes this line and generates the 5 2 7 . 4 − cm − 1 line. Comparison with spectra recorded on irradiated silicon doped with 13 C shows that the two lines represent local vibrational modes of carbon. The annealing behavior of the 7 4 8 . 7 − cm − 1 line is identical to that of the EPR signal originating from the negative charge state of two adjacent substitutional carbon atoms ( C s − C s ) − . The 527.4- and 7 4 8 . 7 − cm − 1 lines are ascribed to the E modes of C s − C s in the neutral and negative charge states, respectively. The structure and local vibrational modes of ( C s − C s ) 0 and ( C s − C s ) − have been calculated by ab initio local density functional theory. The calculated structures agree qualitatively with those obtained previously by Hartree-Fock methods, but the calculated Si-C and C-C bond lengths differ somewhat. The calculated local mode frequencies are in good agreement with those observed. The formation of C s − C s has also been investigated. It is suggested that the center is formed when a vacancy is trapped by the metastable substitutional carbon-interstitial carbon center, C s − C i .
LanguageEnglish
Article number158
Number of pages8
JournalPhysical Review B (Condensed Matter)
Volume62
Issue number1
DOIs
Publication statusPublished - 1 Jul 2000

Fingerprint

Silicon
vibration mode
Carbon
Atoms
carbon
silicon
atoms
low pass filters
Low pass filters
Infrared absorption
Cutoff frequency
Bond length
infrared absorption
Vacancies
Density functional theory
Paramagnetic resonance
interstitials
cut-off
Annealing
density functional theory

Keywords

  • silicon
  • carbon
  • local vibrational modes

Cite this

Lavrov, E. V., Bech Nielsen, B., Byberg, J. R., Hourahine, B., Jones, R., Öberg, S., & Briddon, P. R. (2000). Local vibrational modes of two neighboring substitutional carbon atoms in silicon. Physical Review B (Condensed Matter), 62(1), [158]. https://doi.org/10.1103/PhysRevB.62.158
Lavrov, E. V. ; Bech Nielsen, B. ; Byberg, J. R. ; Hourahine, B. ; Jones, R. ; Öberg, S. ; Briddon, P. R. / Local vibrational modes of two neighboring substitutional carbon atoms in silicon. In: Physical Review B (Condensed Matter). 2000 ; Vol. 62, No. 1.
@article{0fa15ed5773044ddaa42544783f1021d,
title = "Local vibrational modes of two neighboring substitutional carbon atoms in silicon",
abstract = "Infrared absorption measurements on n-type silicon doped with carbon and irradiated with electrons at room temperature have revealed new absorption lines at 527.4 and 748.7 cm − 1 , which originate from the same defect. The 7 4 8 . 7 − cm − 1 line is observed only when the sample is cooled in the dark and the spectrum is measured through a low-pass filter with cutoff frequency below 6000 cm − 1 . Light with frequency above 6000 cm − 1 removes this line and generates the 5 2 7 . 4 − cm − 1 line. Comparison with spectra recorded on irradiated silicon doped with 13 C shows that the two lines represent local vibrational modes of carbon. The annealing behavior of the 7 4 8 . 7 − cm − 1 line is identical to that of the EPR signal originating from the negative charge state of two adjacent substitutional carbon atoms ( C s − C s ) − . The 527.4- and 7 4 8 . 7 − cm − 1 lines are ascribed to the E modes of C s − C s in the neutral and negative charge states, respectively. The structure and local vibrational modes of ( C s − C s ) 0 and ( C s − C s ) − have been calculated by ab initio local density functional theory. The calculated structures agree qualitatively with those obtained previously by Hartree-Fock methods, but the calculated Si-C and C-C bond lengths differ somewhat. The calculated local mode frequencies are in good agreement with those observed. The formation of C s − C s has also been investigated. It is suggested that the center is formed when a vacancy is trapped by the metastable substitutional carbon-interstitial carbon center, C s − C i .",
keywords = "silicon, carbon, local vibrational modes",
author = "Lavrov, {E. V.} and {Bech Nielsen}, B. and Byberg, {J. R.} and B. Hourahine and R. Jones and S. {\"O}berg and Briddon, {P. R.}",
year = "2000",
month = "7",
day = "1",
doi = "10.1103/PhysRevB.62.158",
language = "English",
volume = "62",
journal = "Physical Review B (Condensed Matter)",
issn = "0163-1829",
number = "1",

}

Local vibrational modes of two neighboring substitutional carbon atoms in silicon. / Lavrov, E. V.; Bech Nielsen, B.; Byberg, J. R.; Hourahine, B.; Jones, R.; Öberg, S.; Briddon, P. R.

In: Physical Review B (Condensed Matter), Vol. 62, No. 1, 158, 01.07.2000.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Local vibrational modes of two neighboring substitutional carbon atoms in silicon

AU - Lavrov, E. V.

AU - Bech Nielsen, B.

AU - Byberg, J. R.

AU - Hourahine, B.

AU - Jones, R.

AU - Öberg, S.

AU - Briddon, P. R.

PY - 2000/7/1

Y1 - 2000/7/1

N2 - Infrared absorption measurements on n-type silicon doped with carbon and irradiated with electrons at room temperature have revealed new absorption lines at 527.4 and 748.7 cm − 1 , which originate from the same defect. The 7 4 8 . 7 − cm − 1 line is observed only when the sample is cooled in the dark and the spectrum is measured through a low-pass filter with cutoff frequency below 6000 cm − 1 . Light with frequency above 6000 cm − 1 removes this line and generates the 5 2 7 . 4 − cm − 1 line. Comparison with spectra recorded on irradiated silicon doped with 13 C shows that the two lines represent local vibrational modes of carbon. The annealing behavior of the 7 4 8 . 7 − cm − 1 line is identical to that of the EPR signal originating from the negative charge state of two adjacent substitutional carbon atoms ( C s − C s ) − . The 527.4- and 7 4 8 . 7 − cm − 1 lines are ascribed to the E modes of C s − C s in the neutral and negative charge states, respectively. The structure and local vibrational modes of ( C s − C s ) 0 and ( C s − C s ) − have been calculated by ab initio local density functional theory. The calculated structures agree qualitatively with those obtained previously by Hartree-Fock methods, but the calculated Si-C and C-C bond lengths differ somewhat. The calculated local mode frequencies are in good agreement with those observed. The formation of C s − C s has also been investigated. It is suggested that the center is formed when a vacancy is trapped by the metastable substitutional carbon-interstitial carbon center, C s − C i .

AB - Infrared absorption measurements on n-type silicon doped with carbon and irradiated with electrons at room temperature have revealed new absorption lines at 527.4 and 748.7 cm − 1 , which originate from the same defect. The 7 4 8 . 7 − cm − 1 line is observed only when the sample is cooled in the dark and the spectrum is measured through a low-pass filter with cutoff frequency below 6000 cm − 1 . Light with frequency above 6000 cm − 1 removes this line and generates the 5 2 7 . 4 − cm − 1 line. Comparison with spectra recorded on irradiated silicon doped with 13 C shows that the two lines represent local vibrational modes of carbon. The annealing behavior of the 7 4 8 . 7 − cm − 1 line is identical to that of the EPR signal originating from the negative charge state of two adjacent substitutional carbon atoms ( C s − C s ) − . The 527.4- and 7 4 8 . 7 − cm − 1 lines are ascribed to the E modes of C s − C s in the neutral and negative charge states, respectively. The structure and local vibrational modes of ( C s − C s ) 0 and ( C s − C s ) − have been calculated by ab initio local density functional theory. The calculated structures agree qualitatively with those obtained previously by Hartree-Fock methods, but the calculated Si-C and C-C bond lengths differ somewhat. The calculated local mode frequencies are in good agreement with those observed. The formation of C s − C s has also been investigated. It is suggested that the center is formed when a vacancy is trapped by the metastable substitutional carbon-interstitial carbon center, C s − C i .

KW - silicon

KW - carbon

KW - local vibrational modes

UR - http://journals.aps.org/prb/

U2 - 10.1103/PhysRevB.62.158

DO - 10.1103/PhysRevB.62.158

M3 - Article

VL - 62

JO - Physical Review B (Condensed Matter)

T2 - Physical Review B (Condensed Matter)

JF - Physical Review B (Condensed Matter)

SN - 0163-1829

IS - 1

M1 - 158

ER -