Energetic of nitrogen incorporation reactions in SiO2

Walter Orellana

doi:10.1063/1.1646466

Energetic of nitrogen incorporation reactions in SiO₂

Walter Orellana

Exact Sciences School

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

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.

Original language	English
Pages (from-to)	933-935
Number of pages	3
Journal	Applied Physics Letters
Volume	84
Issue number	6
DOIs	https://doi.org/10.1063/1.1646466
Publication status	Published - 9 Feb 2004

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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10.1063/1.1646466

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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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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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Energetic of nitrogen incorporation reactions in SiO₂

Abstract

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