Theoretical study of the CiOi and IsiCiOi defects in Si

D. J. Backlund; S. K. Estreicher

doi:10.1016/j.physb.2007.08.137

Theoretical study of the C_iO_i and I_siC_iO_i defects in Si

D. J. Backlund, S. K. Estreicher

Physics

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

The I_SiC_iO_i (C4) defect consists of a Si self-interstitial trapped at the interstitial carbon-oxygen C_iO_i pair (C3). The C4 defect is characterized by two infrared absorption lines at 940 and 1024 cm^-1. The former is C-related and the latter is O-related. The intensity of these lines begins to drop above 150 °C and they disappear around 200 °C. In this work, we present the results of first-principles calculations of the configurations, binding energies, vibrational spectra, and estimated gap levels of C3 and C4.

Original language	English
Pages (from-to)	163-166
Number of pages	4
Journal	Physica B: Condensed Matter
Volume	401-402
DOIs	https://doi.org/10.1016/j.physb.2007.08.137
State	Published - Dec 15 2007

Keywords

C4 defect
Carbon
Oxygen
Self-interstitial
Silicon
Theory

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10.1016/j.physb.2007.08.137

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@article{1a64c29fa621406f9507af1000731e0d,

title = "Theoretical study of the CiOi and IsiCiOi defects in Si",

abstract = "The ISiCiOi (C4) defect consists of a Si self-interstitial trapped at the interstitial carbon-oxygen CiOi pair (C3). The C4 defect is characterized by two infrared absorption lines at 940 and 1024 cm-1. The former is C-related and the latter is O-related. The intensity of these lines begins to drop above 150 °C and they disappear around 200 °C. In this work, we present the results of first-principles calculations of the configurations, binding energies, vibrational spectra, and estimated gap levels of C3 and C4.",

keywords = "C4 defect, Carbon, Oxygen, Self-interstitial, Silicon, Theory",

author = "Backlund, {D. J.} and Estreicher, {S. K.}",

note = "Funding Information: This work is supported in part by the grant D-1126 from the R.A. Welch Foundation and a contract from the National Renewable Energy Laboratory. Texas Tech's High Performance Computer Center provided generous amounts of CPU time.",

year = "2007",

month = dec,

day = "15",

doi = "10.1016/j.physb.2007.08.137",

language = "English",

volume = "401-402",

pages = "163--166",

journal = "Physica B: Condensed Matter",

issn = "0921-4526",

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TY - JOUR

T1 - Theoretical study of the CiOi and IsiCiOi defects in Si

AU - Backlund, D. J.

AU - Estreicher, S. K.

N1 - Funding Information: This work is supported in part by the grant D-1126 from the R.A. Welch Foundation and a contract from the National Renewable Energy Laboratory. Texas Tech's High Performance Computer Center provided generous amounts of CPU time.

PY - 2007/12/15

Y1 - 2007/12/15

N2 - The ISiCiOi (C4) defect consists of a Si self-interstitial trapped at the interstitial carbon-oxygen CiOi pair (C3). The C4 defect is characterized by two infrared absorption lines at 940 and 1024 cm-1. The former is C-related and the latter is O-related. The intensity of these lines begins to drop above 150 °C and they disappear around 200 °C. In this work, we present the results of first-principles calculations of the configurations, binding energies, vibrational spectra, and estimated gap levels of C3 and C4.

AB - The ISiCiOi (C4) defect consists of a Si self-interstitial trapped at the interstitial carbon-oxygen CiOi pair (C3). The C4 defect is characterized by two infrared absorption lines at 940 and 1024 cm-1. The former is C-related and the latter is O-related. The intensity of these lines begins to drop above 150 °C and they disappear around 200 °C. In this work, we present the results of first-principles calculations of the configurations, binding energies, vibrational spectra, and estimated gap levels of C3 and C4.

KW - C4 defect

KW - Carbon

KW - Oxygen

KW - Self-interstitial

KW - Silicon

KW - Theory

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U2 - 10.1016/j.physb.2007.08.137

DO - 10.1016/j.physb.2007.08.137

M3 - Article

AN - SCOPUS:36148958980

VL - 401-402

SP - 163

EP - 166

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

SN - 0921-4526

ER -

Theoretical study of the C_iO_i and I_siC_iO_i defects in Si

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