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Modelling of boron nitride: Atomic scale simulations on thin film growth

Albe, K ; Moller, W :
Modelling of boron nitride: Atomic scale simulations on thin film growth.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0927025697...]
In: Comp. Mat. Sci., 10 (1-4) pp. 111-115.
[Artikel], (1998)

Offizielle URL: http://www.sciencedirect.com/science/article/pii/S0927025697...

Kurzbeschreibung (Abstract)

Molecular-dynamics simulations on ion-beam deposition of boron nitride are presented. A realistic Tersoff-like potential energy functional for boron nitride, which was specially fitted to ab initio-data, has been used. The impact of energetic boron and nitrogen atoms on a c-BN target is simulated with energies ranging from 10 to 600 eV. The structural analysis of the grown films shows that a loose, dominantly sp(2)-bonded structure arises at high ion flux. In no case the formation of a sp(3)-bonded phase is observed, but the obtained films partially reveal textured basal planes as found in experiment. Two different growth regimes are identified for ion energies above and below 100 eV. Copyright (C) 1998 Elsevier Science B.V.

Typ des Eintrags: Artikel
Erschienen: 1998
Autor(en): Albe, K ; Moller, W
Titel: Modelling of boron nitride: Atomic scale simulations on thin film growth
Sprache: Englisch
Kurzbeschreibung (Abstract):

Molecular-dynamics simulations on ion-beam deposition of boron nitride are presented. A realistic Tersoff-like potential energy functional for boron nitride, which was specially fitted to ab initio-data, has been used. The impact of energetic boron and nitrogen atoms on a c-BN target is simulated with energies ranging from 10 to 600 eV. The structural analysis of the grown films shows that a loose, dominantly sp(2)-bonded structure arises at high ion flux. In no case the formation of a sp(3)-bonded phase is observed, but the obtained films partially reveal textured basal planes as found in experiment. Two different growth regimes are identified for ion energies above and below 100 eV. Copyright (C) 1998 Elsevier Science B.V.

Titel der Zeitschrift, Zeitung oder Schriftenreihe: Comp. Mat. Sci.
Band: 10
(Heft-)Nummer: 1-4
Verlag: Elsevier
Freie Schlagworte: Molecular dynamics, Boron nitride, Thin film growth
Fachbereich(e)/-gebiet(e): Fachbereich Material- und Geowissenschaften > Materialwissenschaften > Materialmodellierung
Fachbereich Material- und Geowissenschaften > Materialwissenschaften
Fachbereich Material- und Geowissenschaften
Hinterlegungsdatum: 28 Feb 2012 15:28
Offizielle URL: http://www.sciencedirect.com/science/article/pii/S0927025697...
ID-Nummer: 10.1016/S0927-0256(97)00172-9
Sponsoren: This work has been supported by a project of “Sächsisches Ministerium für Wissenschaft und Kunst”.
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