Albe, K. ; Moller, W. (1998)
Modelling of boron nitride: Atomic scale simulations on thin film growth.
In: Comp. Mat. Sci., 10 (1-4)
doi: 10.1016/S0927-0256(97)00172-9
Artikel, Bibliographie
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. |
| Art des Eintrags: | Bibliographie |
| Titel: | Modelling of boron nitride: Atomic scale simulations on thin film growth |
| Sprache: | Englisch |
| Publikationsjahr: | Februar 1998 |
| Verlag: | Elsevier |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Comp. Mat. Sci. |
| Jahrgang/Volume einer Zeitschrift: | 10 |
| (Heft-)Nummer: | 1-4 |
| DOI: | 10.1016/S0927-0256(97)00172-9 |
| URL / URN: | 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. |
| Freie Schlagworte: | Molecular dynamics, Boron nitride, Thin film growth |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung |
| Hinterlegungsdatum: | 28 Feb 2012 15:28 |
| Letzte Änderung: | 03 Jan 2019 15:20 |
| PPN: | |
| Sponsoren: | This work has been supported by a project of “Sächsisches Ministerium für Wissenschaft und Kunst”. |
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