Structural properties of amorphous silicon nitride

被引：138
作者：
de Brito Mota, F
Justo, JF
Fazzio, A
机构：
[1] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil
[2] UFBA, Inst Fis, BR-40210340 Salvador, BA, Brazil
来源：
PHYSICAL REVIEW B | 1998年 / 58卷 / 13期
关键词：
D O I：
10.1103/PhysRevB.58.8323
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We developed an empirical potential for interactions between Si and N to describe silicon nitride systems using the Tersoff functional form. The fitting parameters were found using a set of ab initio and experimental results of the crystalline phase. Using this empirical model, we explored the structural properties of amorphous silicon nitride through Monte Carlo simulations, and compared them to available experimental data. The good description of the a-SiNx system for a wide range of nitrogen contents (0 < x < 1.5) shows the reliability of this model.
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收藏
页码：8323 / 8328
页数：6
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