Monte Carlo模拟纤锌矿GaN材料中粒子最终态的确定

Studies on the Determination of the Particle's Final States in Simulation of Wurtzite GaN by Full Band Monte Carlo Method

介绍了M on te C arlo方法模拟半导体材料和器件特性使用的三种模型,重点介绍用全带M on te C arlo方法模拟纤锌矿相G aN材料所用的两项关键技术即散射几率计算和能带结构数据库应用问题。提出了确定散射后最终态能量和波矢量的计算方法。根据散射机理和粒子能量的不同,确定最终态的方法有4种。对各向异性的极性光学声子散射,采用分析带模型与全带模型相结合,对不同的能量,非抛物面系数取不同的值的方法,提高了确定最终态的准确性,提高了计算速度。

The three energy band models used in the simulations of semiconductors with Monte Carlo method are introduced, and comparison among these models has been made. The calculation of scattering rates and the application of band structures, which are two key technologies in the simulations of wurtzite GaN by the full band Monte Carlo method, are also presented. We propose some methods of the determination of the particlest s final states after scattering. Depended on the scattering mechanisms and particle＇s engergy, there are 4 methods for the determination of the final states. For the polar optical phonon scattering, the method of the determination of the final states with combination of the analytic band model and the full band model, and with different value of non-parabolic coefficient relating particle＇s energy, are adopted. With this method the exact results of the final states can be obtained, and the speed of the calculations are also improved.