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Title: Dimer of substitutional carbon in silicon studied by EPR and ab initio methods

Abstract

An EPR signal observed in carbon-doped float-zone silicon after irradiation with 2-MeV electrons at room temperature has been investigated. It represents a defect with S=(1/2), an apparently isotropic g factor (=2.0030), and a complicated hyperfine structure from {sup 29}Si nuclei in five shells that are consistent with an overall trigonal symmetry. Subtle asymmetries of the hyperfine pattern indicate the presence of a small trigonal component of the g tensor as well. An additional pair of satellite lines is identified by the relative intensity (1%) as arising from {sup 13}C in natural abundance, occupying two equivalent sites on the trigonal axis. Several defect structures that contain two equivalent carbon atoms on a trigonal axis were investigated by ab initio Hartree-Fock calculations. Only the negative charge state of a dicarbon center C{sub s}-C{sub s}, in which the carbon atoms occupy adjacent substitutional sites, was found to be consistent with the EPR data. (c) 2000 The American Physical Society.

Authors:
 [1];  [2];  [2];  [3];  [4]
  1. Institute of Chemistry, University of Aarhus, DK-8000, (Denmark)
  2. Institute of Physics and Astronomy, University of Aarhus, DK-8000, (Denmark)
  3. Department of Physics, Texas Tech University, Lubbock, Texas 79409-1051 (United States)
  4. Department of Physics, Washington University, St. Louis, Missouri 63130-1105 (United States)
Publication Date:
OSTI Identifier:
20216425
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 61; Journal Issue: 19; Other Information: PBD: 15 May 2000; Journal ID: ISSN 1098-0121
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; NATIONAL RENEWABLE ENERGY LABORATORY; SILICON; CRYSTAL DEFECTS; CRYSTAL DOPING; CARBON ADDITIONS; RADIATION EFFECTS; IRRADIATION; ELECTRON BEAMS; IMPURITIES; ELECTRON SPIN RESONANCE; EXPERIMENTAL DATA

Citation Formats

Byberg, J. R., Nielsen, B. Bech, Fanciulli, M., Estreicher, S. K., and Fedders, P. A. Dimer of substitutional carbon in silicon studied by EPR and ab initio methods. United States: N. p., 2000. Web. doi:10.1103/PhysRevB.61.12939.
Byberg, J. R., Nielsen, B. Bech, Fanciulli, M., Estreicher, S. K., & Fedders, P. A. Dimer of substitutional carbon in silicon studied by EPR and ab initio methods. United States. doi:10.1103/PhysRevB.61.12939.
Byberg, J. R., Nielsen, B. Bech, Fanciulli, M., Estreicher, S. K., and Fedders, P. A. Mon . "Dimer of substitutional carbon in silicon studied by EPR and ab initio methods". United States. doi:10.1103/PhysRevB.61.12939.
@article{osti_20216425,
title = {Dimer of substitutional carbon in silicon studied by EPR and ab initio methods},
author = {Byberg, J. R. and Nielsen, B. Bech and Fanciulli, M. and Estreicher, S. K. and Fedders, P. A.},
abstractNote = {An EPR signal observed in carbon-doped float-zone silicon after irradiation with 2-MeV electrons at room temperature has been investigated. It represents a defect with S=(1/2), an apparently isotropic g factor (=2.0030), and a complicated hyperfine structure from {sup 29}Si nuclei in five shells that are consistent with an overall trigonal symmetry. Subtle asymmetries of the hyperfine pattern indicate the presence of a small trigonal component of the g tensor as well. An additional pair of satellite lines is identified by the relative intensity (1%) as arising from {sup 13}C in natural abundance, occupying two equivalent sites on the trigonal axis. Several defect structures that contain two equivalent carbon atoms on a trigonal axis were investigated by ab initio Hartree-Fock calculations. Only the negative charge state of a dicarbon center C{sub s}-C{sub s}, in which the carbon atoms occupy adjacent substitutional sites, was found to be consistent with the EPR data. (c) 2000 The American Physical Society.},
doi = {10.1103/PhysRevB.61.12939},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 19,
volume = 61,
place = {United States},
year = {2000},
month = {5}
}