MOLECULAR-DYNAMICS OF SI CLUSTERS .2. SI CLUSTERS AT FINITE TEMPERATURES

被引:2
作者
MITTELBACH, T
FRITSCHE, HG
MULLER, H
机构
[1] Institut für Physikalische Chemie, Friedrich-Schiller-Universität Jena, D-07743 Jena, Am Steiger 3
来源
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS | 1994年 / 187卷
关键词
MOLECULAR DYNAMICS; INTERACTION POTENTIAL; MELTING; SI-CLUSTER;
D O I
10.1524/zpch.1994.187.Part_1.045
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A molecular-dynamics study has been performed to investigate SiN clusters (N = 5 - 14, 26), using the three-body interaction potential of Lennard-Jones/Axilrod-Teller. Starting from the ground-state structures with increasing temperature there are changes between different solid-like structures as well as transitions from the solid-like to the liquid-like state to be observed. The melting temperature depends on the cluster size. The ''magic numbers'' 6 and 1 0 are to be observed not only at T = 0 K but also at higher temperatures as excellently stable.
引用
收藏
页码:45 / 59
页数:15
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