Energetic of nitrogen incorporation reactions in SiO2

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13 Citas (Scopus)

Resumen

The energetics and structural properties of near-interface nitrogen incorporation were studied from first-principles total-energy calculations. The N2, NH, and NO molecules as well as atomic N were considered as the precursor species. Calculations were performed in the framework of the density functional theory using a basis set of numerical atomib orbitals as implemented in the SIESTA code. The resultant data were analyzed in detail.

Idioma originalInglés
Páginas (desde-hasta)933-935
Número de páginas3
PublicaciónApplied Physics Letters
Volumen84
N.º6
DOI
EstadoPublicada - 9 feb 2004

Áreas temáticas de ASJC Scopus

  • Física y astronomía (miscelánea)

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