First principles study of oxygen defects in silicon

DOI10.1016/S0010-4655(01)00366-6MaRDI QIDQ5956358zbMATH OpenOpenAlexFDO

Authors Young Joo Lee, R. M. Nieminen

Publication date 20 February 2002

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/s0010-4655(01)00366-6

zbMATH Keywords

oxygen defects in silicon

Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25)

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(6)

• Green's function-based multiscale modeling of defects in a semi-infinite silicon substrate
• Quantum-chemistry study of semiconductor systems: the initial oxidation of the (111)Si-H surface
• Defects in Amorphous Semiconductors: Amorphous Silicon
• Defect formation mechanisms and point defect concentrations in the anion sublattice of uranium dioxide: molecular dynamics study
• INVESTIGATION ON THE MICROSCOPIC STRUCTURE OF E′_δ CENTER IN AMORPHOUS SILICON DIOXIDE BY ELECTRON PARAMAGNETIC RESONANCE SPECTROSCOPY
• Optimal atomic structure of amorphous silicon obtained from density functional theory calculations

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