Kinetic Lattice Monte Carlo Simulations of Vacancy Diffusion in Silicon Below the Melting Point
Kinetic Lattice Monte Carlo Simulations of Vacancy Diffusion in Silicon Below the Melting Point
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熔点以下硅中空位扩散的动力学晶格蒙特卡罗模拟
DOI：
10.1166/jctn.2010.1401
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发表时间：
2010
影响因子：
--
通讯作者：
H. Hwang
中科院分区：
文献类型：
--
作者：
J. Kang;O. Kwon;Sangkil Lee;Sang Hun Lee;Do Hyun Kim;H. Hwang
我们研究了空位扩散硅通过动力学晶格蒙特卡罗模拟温度低于熔点。在集群区域的平衡扩散系数比自由空位，这是从一个已知的低密度系统计算低两个数量级。当温度低于1,200 K时，团簇的平均尺寸几乎不变，但在1,300 K至1,400 K的温度范围内团簇的平均尺寸增大，在达到1,400 K的峰值温度后团簇的平均尺寸减小。在800 ~ 1，200 K温度范围内，团簇数目略有增加，而在1，300 K以上温度范围内，团簇数目急剧减少。虽然高温导致更少的大的空位簇，许多小的集群在低温下导致更少的自由空位在中间阶段之间的聚集和解离的较小的集群。在熔点以下的硅空位的有效迁移能量在高于和低于1,300 K的温度下分别为2.5 eV和0.47 eV。
We investigated vacancy diffusion in silicon via kinetic lattice Monte Carlo simulations of temperatures below the melting point. Equilibrium diffusivities in the cluster region were two orders of magnitude lower than those of free vacancies, which were calculated from a known low density system. While the mean cluster size was almost constant at temperatures below 1,200 K, it increased at temperatures from 1,300 K to 1,400 K and then decreased after the peak temperature of 1,400 K was reached. The number of clusters slightly increased at temperatures from 800 K to 1,200 K whereas it abruptly decreased at temperatures above 1,300 K. While high temperatures resulted in fewer large vacancy clusters, many small clusters at low temperatures resulted in fewer free vacancies in intermediate phases between aggregation and dissociation of smaller clusters. Effective migration energies of a silicon vacancy below the melting point were 2.5 eV and 0.47 eV at temperatures above and below 1,300 K, respectively.