Substitutional carbon-dioxygen center in irradiated silicon

Potsidi, M. S.; Kuganathan, Navaratnarajah; Chroneos, Alexander; Christopoulos, Stavros-Richard G.; Angeletos, T.; Sarlis, N. V.; Londos, C. A.

doi:10.1016/j.mssp.2021.105661

Cited by 2 publications

(1 citation statement)

References 55 publications

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“…Aside from oxygen, carbon is an important impurity in Si unintentionally added during material growth [1,9,15,16]. In previous studies, the interactions of C with selfinterstitials and various impurities have been reported to mainly be with O and other C atoms, leading to families of (C-O)-related (for instance, C i O i , C i O i (Si i ) n ) [9,[16][17][18][19][20] and C-related defects (for instance, C i C s , C i C s (Si i ) n ) [9,16,[21][22][23][24]. Notably, carbon affects oxygen precipitation [25,26] in Si.…”

Section: Introductionmentioning

confidence: 99%

Carbon-Isovalent Dopant Pairs in Silicon: A Density Functional Theory Study

Christopoulos,

Sgourou,

Chroneos

et al. 2024

Applied Sciences

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Carbon (C) is an important isovalent impurity in silicon (Si) that is inadvertently added in the lattice during growth. Germanium (Ge), tin (Sn), and lead (Pb) are isovalent atoms that are added in Si to improve its radiation hardness, which is important for microelectronics in space or radiation environments and near reactors or medical devices. In this work, we have employed density functional theory (DFT) calculations to study the structure and energetics of carbon substitutional-isovalent dopant substitutional CsDs (i.e., CsGes, CsSns and CsPbs) and carbon interstitial-isovalent dopant substitutional CiDs (i.e., CiGes, CiSns and CiPbs) defect pairs in Si. All these defect pairs are predicted to be bound with the larger isovalent atoms, forming stronger pairs with the carbon atoms. It is calculated that the larger the dopant, the more stable the defect pair, whereas the CsDs defects are more bound than the CiDs defects.

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Section: Introductionmentioning

confidence: 99%

Carbon-Isovalent Dopant Pairs in Silicon: A Density Functional Theory Study

Christopoulos,

Sgourou,

Chroneos

et al. 2024

Applied Sciences

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Theoretical investigation of nitrogen-vacancy defects in silicon

et al. 2022

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Nitrogen-vacancy defects are important for the material properties of silicon and for the performance of silicon-based devices. Here, we employ spin polarized density functional theory to calculate the minimum energy structures of the vacancy-nitrogen substitutional, vacancy-dinitrogen substitutionals, and divacancy-dinitrogen substitutionals. The present simulation technique enabled us to gain insight into the defect structures and charge distribution around the doped N atom and the nearest neighboring Si atoms. Using the dipole–dipole interaction method, we predict the local vibration mode frequencies of the defects and discuss the results with the available experimental data.

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Substitutional carbon-dioxygen center in irradiated silicon

Cited by 2 publications

References 55 publications

Carbon-Isovalent Dopant Pairs in Silicon: A Density Functional Theory Study

Carbon-Isovalent Dopant Pairs in Silicon: A Density Functional Theory Study

Theoretical investigation of nitrogen-vacancy defects in silicon

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