0000000000585911

AUTHOR

A. Misiuk

showing 2 related works from this author

Structure of Oxygen and Silicon Interstitials in Silicon

1999

Materials scienceSiliconchemistryChemical engineeringchemistry.chemical_elementCondensed Matter PhysicsOxygenElectronic Optical and Magnetic Materialsphysica status solidi (a)
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Structure and diffusion of oxygen and silicon interstitials in silicon

1999

Abstract Ab initio quantum chemical simulation of silicon interstitials and oxygen-related defects Oi, V–O2, and V–O4 in oxygen-containing silicon was performed using the embedded molecular cluster model. The defect geometry and electronic structure were studied. The migration activation energy for Oi defect was estimated as 2.73 eV at the atmospheric pressure, and 2.70, 2.68, and 1.92 eV for the lattice compressed by 0.25, 0.37, or 5.0 per cent, respectively. The activation energy of silicon interstitial is not changing with pressure. The molecular cluster used to simulate V–O4 defect with C2v symmetry was shown to have only slight deviation from D2d at atmospheric pressure, a strong devia…

SiliconAtmospheric pressureMechanical EngineeringMetals and AlloysAb initioNucleationchemistry.chemical_elementActivation energyElectronic structureCrystallographic defectMolecular physicsCrystallographychemistryMechanics of MaterialsAb initio quantum chemistry methodsMaterials ChemistryJournal of Alloys and Compounds
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