4H-SiC外延层中结构缺陷的分子动力学研究的开题报告.docx

4H-SiC外延层中结构缺陷的分子动力学研究的开题报告 摘要： 4H-SiC是一种具有良好热稳定性和耐辐照性的半导体材料，被广泛应用于微电子器件和高功率电子器件。然而，4H-SiC晶体结构中存在着各种缺陷，如位错、空位等，这些缺陷对材料的电学性能和机械性能产生重大影响。因此，对4H-SiC晶体中的结构缺陷进行研究和分析非常重要。 本文将采用分子动力学方法，模拟4H-SiC外延层中的结构缺陷。首先，通过构建4H-SiC晶体的模型，并对其进行力场参数的优化；然后，引入不同类型的缺陷，包括位错和点缺陷，对其进行模拟和分析；最后，通过对模拟结果的比对和分析，得出结构缺陷对4H-SiC材料性能的影响规律。 本文的研究意义在于对4H-SiC晶体中的结构缺陷进行深入了解，为其在半导体器件和高功率电子器件等领域的应用提供参考。 关键词：4H-SiC；分子动力学；结构缺陷；位错；点缺陷 Abstract: 4H-SiC is a semiconductor material with good thermal stability and radiation resistance, and is widely used in microelectronic and high-power electronic devices. However, there are various defects in the crystal structure of 4H-SiC, such as dislocations and vacancies, which have a significant impact on the electrical and mechanical properties of the material. Therefore, it is very important to study and analyze the structural defects in 4H-SiC crystals. In this paper, molecular dynamics method will be used to simulate the structural defects in 4H-SiC epitaxial layer. Firstly, the model of 4H-SiC crystal will be constructed, and the force field parameters will be optimized. Then, different types of defects, including dislocations and point defects, will be introduced and simulated and analyzed. Finally, the impact of structural defects on the properties of 4H-SiC materials will be obtained by comparing and analyzing the simulation results. The significance of this study is to have a deep understanding of the structural defects in 4H-SiC crystals, and provide reference for its application in the field of semiconductor devices and high-power electronic devices. Keywords: 4H-SiC; Molecular dynamics; Structural defects; Dislocations; Point defects