Energetic of nitrogen incorporation reactions in SiO2

Resultado de la investigación: Article

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

Huella dactilar

nitrogen
density functional theory
orbitals
molecules
energy

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Citar esto

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abstract = "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.",
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Energetic of nitrogen incorporation reactions in SiO2 . / Orellana, Walter.

En: Applied Physics Letters, Vol. 84, N.º 6, 09.02.2004, p. 933-935.

Resultado de la investigación: Article

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AB - 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.

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