AMORPHOUS-SILICON FORMATION BY RAPID QUENCHING - A MOLECULAR-DYNAMICS STUDY
AMORPHOUS-SILICON FORMATION BY RAPID QUENCHING - A MOLECULAR-DYNAMICS STUDY
复制标题
DOI：
10.1103/physrevb.36.4234
复制
发表时间：
1987-09-15
影响因子：
3.7
通讯作者：
RAHMAN, A
中科院分区：
文献类型：
--
作者：
KLUGE, MD;RAY, JR;RAHMAN, A
我们用Stillinger-Weber势来模拟硅原子间的相互作用，研究了熔体急冷形成非晶硅的过程。以3× 1014 K/s的速率对熔体进行淬火，形成非晶硅。与实验中子散射结构因子的良好协议。在我们的非晶硅样品中，大约88%的原子具有4的配位数，而12%具有5的配位数。五配位原子的空间分布是不均匀的。
We have studied the formation of amorphous silicon by rapid quenching of the melt using the Stillinger-Weber potential to model the interaction between silicon atoms. By quenching the melt at a rate of 3× 10 14 K/s we form amorphous silicon. Excellent agreement with the experimental neutron scattering structure factor is obtained. In our sample of amorphous silicon, approximately 88% of the atoms have a coordination number of 4 while 12% have a coordination number of 5. The distribution in space of the fivefold-coordinated atoms is not uniform.