The Key Laboratory of Beam Technology and Material Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, People's Republic of China.
J Phys Condens Matter. 2013 Jun 12;25(23):235402. doi: 10.1088/0953-8984/25/23/235402. Epub 2013 May 16.
A two-temperature model has been used to investigate the effects of electron-ion coupling on defect formation and evolution in irradiated cubic silicon carbide. By simulating 10 keV displacement cascades under identical primary knock-on atom conditions, we find that the final displacement and the kinetic energy of the primary knock-on atom decrease rapidly with increasing electron-ion coupling strength. Moreover, by analyzing the number of peak defects, atomic and electronic temperatures, it is found that a higher number of peak defects is created for intermediate coupling strength due to the electronic temperature making a contribution to the disorder. Strong electron-ion coupling rapidly removes energy from the cascade, thus the number of peak defects is lower. Meanwhile, there is a non-monotonic trend in the relationship between the coupling strength and the time at which the temperature of atoms reaches the minimum. Furthermore, we discuss the mechanisms involved.
已采用双温模型来研究电子-离子耦合对辐照碳化硅中缺陷形成和演化的影响。通过在相同的初级碰撞原子条件下模拟 10keV 位移级联，我们发现最终位移和初级碰撞原子的动能随电子-离子耦合强度的增加而迅速下降。此外，通过分析峰值缺陷的数量、原子和电子温度，发现在中间耦合强度下会产生更多的峰值缺陷，这是由于电子温度对无序有贡献。强电子-离子耦合会迅速从级联中去除能量，因此峰值缺陷的数量较低。同时，原子温度达到最小值的时间与耦合强度之间存在非单调趋势。此外，我们还讨论了相关机制。
