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

被引：116

作者：

Albe, K ^{[1
]}

Moller, W ^{[1
]}

机构：

[1] Res Ctr Rossendorf, Inst Ion Beam Phys & Mat Res, D-01314 Dresden, Germany

来源：

COMPUTATIONAL MATERIALS SCIENCE | 1998年 / 10卷 / 1-4期

关键词：

molecular dynamics; boron nitride; thin film growth;

D O I：

10.1016/S0927-0256(97)00172-9

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

引用

页码：111 / 115

页数：5

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