期刊论文

Molecular Dynamics Simulation of 4H-SiC under Irradiation Defects Formation Mechanism

中文

光电技术应用

1673-1255

2017

32

5

45-51

10.3969/j.issn.1673-1255.2017.05.008

本校为第一机构

运用分子动力学模拟的方法,采用LAMMPS程序模拟了六方晶格结构的4H-SiC材料辐照下级联碰撞过程。先建立4H-SiC晶体结构模型,再模拟了不同能量的初始碰撞原子（PKA）级联碰撞产生点缺陷的演化。模拟结果表明,总的点缺陷包括空位缺陷、间隙原子和反位缺陷,并以空位缺陷和间隙原子为主,给出空位缺陷与间隙原子的空间分布图;级联碰撞产生的空位缺陷数量与PKA能量成线性关系;空位缺陷与间隙原子的空间分布,特别是空位缺陷与间隙原子聚集区域,与PKA能量有密切关系。上述结果为分析4H-SiC基材电子器件在辐照环境下电学性质变化提供理论基础。

The molecular dynamics method is used to simulate the cascade collision of 4H-SiC material with hexagonal crystal structure by using LAMMPS code. 4H-SiC crystal structure model is established and the evolution of radiation-induced point defects by the collision cascade is simulated at different primary knock-on atom （PKA） energy and initial incident direction. The simulation results show that the total point defects include vacancy de- fects, interstitial atoms and antisite defects, giving priority to vacancy defects and interstitial. The spa...