G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach

Wang, H.; Chroneos, Alexander; Londos, C. A.; Sgourou, E. N.; Schwingenschlögl, Udo

doi:10.1063/1.4875658

Cited by 20 publications

(19 citation statements)

References 41 publications

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“…Song et al [20] have argued that the G center exists in two configurations, A and B, as well as positive, neutral and negative charge states, with the G luminescence assigned to the neutral B form. More recent modelling has proposed three [24] and even four [25] configurations for the G center, so its detailed understanding remains in a state of flux.…”

Section: Resultsmentioning

confidence: 99%

Highly enriched Si28 reveals remarkable optical linewidths and fine structure for well-known damage centers

et al. 2018

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Luminescence and optical absorption due to radiation damage centers in silicon has been studied exhaustively for decades, but is receiving new interest for applications as emitters for integrated silicon photonic technologies. While a variety of other optical transitions have been found to be much sharper in enriched 28 Si than in natural Si, due to the elimination of inhomogeneous isotopic broadening, this has not yet been investigated for radiation damage centers. We report results for the well-known G, W and C damage centers in highly enriched 28 Si, with optical linewidth improvements in some cases of over two orders of magnitude, revealing previously hidden fine structure in the G center emission and absorption. These results have direct implications for the linewidths to be expected from single center emission, even in natural Si, and for models for the G center structure. The advantages of 28 Si can be readily extended to the study of other radiation damage centers in Si. * thewalt@sfu.ca

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Section: Resultsmentioning

confidence: 99%

Highly enriched Si28 reveals remarkable optical linewidths and fine structure for well-known damage centers

et al. 2018

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“…The structure of the complex has been debated for a long time, and is the subject of numerous experimental and theoretical studies. [4][5][6][7][8][9][10][11][12] Early Electron Paramagnetic Resonance (EPR) studies, conducted by Brower et al, 4 identified a signal, Si-G11, corresponding to a vacancy occupied by two carbon atoms in a positive charge state. The angular dependence of the Si-G11 Zeeman spectrum suggests that two carbon atoms lie in the 〈110〉 plane, whereas the C-C bond is oriented along the (111) direction.…”

Section: Introductionmentioning

confidence: 99%

Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles

Timerkaeva¹,

Attaccalite

Brenet³

et al. 2018

Journal of Applied Physics

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The structure of the C i C s complex in silicon has long been the subject of debate.Numerous theoretical and experimental studies have attempted to shed light on the properties of these defects that are at the origin of the light emitting G-center. These defects are relevant for applications in lasing, and it would be advantageous to control their formation and concentration in bulk silicon. It is therefore essential to understand their structural and electronic properties. In this paper, we present the structural, electronic, and optical properties of four possible configurations of the C i C s complex in bulk silicon, namely the A-, B-, C-, and D-forms. The configurations were studied by density functional theory (DFT) and many-body perturbation theory (MBPT). Our results suggest that the C-form was misinterpreted as a B-form in some experiments. Our optical investigation also tends to exclude any contribution of A-and B-forms to light emission. Taken together, our results suggest that the C-form could play an important role in heavily carbon-doped silicon.1 arXiv:1702.02334v2 [cond-mat.mtrl-sci]

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“…The structure of C i C s defects (known as G-centers) have been extensively investigated using DFT calculations [39,40]. There are three structures of defects (refer to Fig.…”

Section: Structure Of Defectsmentioning

confidence: 99%

Relative concentrations of carbon related defects in silicon

Christopoulos

Parfitt

Sgourou³

et al. 2016

J Mater Sci: Mater Electron

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Irradiation induced defects in silicon are technologically important as they impact the electronic properties. Calculations based on density functional theory employing hybrid functionals have been previously used to investigate the structures and relative energies of defect clusters formed between vacancies, self-interstitials, carbon and oxygen atoms in silicon. In this study we employ a model to calculate the relative concentrations of carbon related defects in silicon. It is calculated that the carbon content has a significant impact upon the concentration of carbon-related defects. The C i C s defect is the most populous for all the conditions considered followed by the C i-O i Si I and the C i O i defects. C i O i Si I and the C i O i become increasingly important for silicon with high carbon concentrations.

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G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach

Cited by 20 publications

References 41 publications

Highly enriched Si28 reveals remarkable optical linewidths and fine structure for well-known damage centers

Highly enriched Si28 reveals remarkable optical linewidths and fine structure for well-known damage centers

Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles

Relative concentrations of carbon related defects in silicon

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