TU Darmstadt / ULB / TUbiblio

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

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

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.

Item Type: Article
Erschienen: 1998
Creators: Albe, K. and Moller, W.
Title: Modelling of boron nitride: Atomic scale simulations on thin film growth
Language: English
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.

Journal or Publication Title: Comp. Mat. Sci.
Volume: 10
Number: 1-4
Publisher: Elsevier
Uncontrolled Keywords: Molecular dynamics, Boron nitride, Thin film growth
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
Date Deposited: 28 Feb 2012 15:28
Official URL: http://www.sciencedirect.com/science/article/pii/S0927025697...
Identification Number: doi:10.1016/S0927-0256(97)00172-9
Funders: This work has been supported by a project of “Sächsisches Ministerium für Wissenschaft und Kunst”.
Export:
Suche nach Titel in: TUfind oder in Google

Optionen (nur für Redakteure)

View Item View Item