First-principles study of near surface point defects stability in Si (100) and SiGe(100)

Calculations based on Density Functional Theory are carried out to study interstitial generation close to the Si(100) surface with further consideration of effects related to the presence of substitutional Ge atoms on the surface. Defect structures, vacancy and Si interstitial, and associated energi...

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Veröffentlicht in:	Thin solid films 2010-02, Vol.518 (9), p.2418-2421
Hauptverfasser:	Fetah, S., Chikouche, A., Dkhissi, A., Estève, A., Djafari Rouhani, M., Landa, G., Pochet, P.
Format:	Artikel
Sprache:	eng
Schlagworte:	Composition and phase identification Condensed Matter Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Defects and impurities in crystals microstructure DFT calculations Electron states Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Electronic transport phenomena in thin films and low-dimensional structures Exact sciences and technology Frenkel pairs Methods of electronic structure calculations Physics Point defects Point defects (vacancies, interstitials, color centers, etc.) and defect clusters Si interstitial SiGe Structure of solids and liquids crystallography Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties) Thin film structure and morphology
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