MOLECULAR DYNAMICS SIMULATION OF ENERGETIC ATOM DEPOSITIONS OF Au/Au(100) FILM

The energetic atom deposition of thin Au/Au(100) film has been studied by molecular dynamics simulation using the Au-Au interatomic interaction potential with embedded atom method. By investigating the variation of coverage curves and Bragg diffraction intensities during the film growth, the transition of Stranski-Kranstanov growth mode to Frank-van der Merwe growth mode was observed with the increase of the incident energy of deposition atoms. The role of energetic atoms in the film growth is discussed by analyzing the transport properties of deposited atoms and the evolution of incident energy and substrate temperatures.     

表面态调控对GaN荧光光谱的影响

采用高阻本征GaN薄膜,通过H3PO4刻蚀和SiOxNy薄膜钝化方法对GaN薄膜进行表面态调控,研究了表面态调控对GaN薄膜光致荧光光谱的影响.研究发现,H3PO4刻蚀对改善GaN薄膜的紫外荧光发射作用不大,但显著增加可见荧光的强度;经SiOxNy薄膜表面钝化的GaN紫外荧光量子效率增加12—13倍,同时对可见荧光有明显增加.通过比较H3PO4刻蚀和SiOxNy薄膜钝化的室温和低温荧光光谱,探讨了表面态调控对GaN紫外荧光、蓝带荧光和黄带荧光的影响及相关物理机理.     

低能Pt原子与Pt(111)表面相互作用的分子动力学模拟

利用分子动力学模拟方法详细研究了低能Pt原子与Pt(111)表面的相互作用所导致的表面吸附原子、溅射原子、表面空位的产生及分布规律,给出了表面吸附原子产额、溅射原子产额和表面空位产额随入射Pt原子能量的变化关系.模拟结果显示:溅射产额、表面吸附原子产额和表面空位产额随入射原子的能量的增加而增加,溅射原子、表面吸附原子的分布花样呈3度旋转对称性质;当入射粒子能量高于溅射阈值时,表面吸附原子主要是基体最表面原子的贡献,入射粒子直接成为表面吸附原子的概率很小.其主要原因是:当入射粒子能量高于溅射能量阈值时,入射 关键词： 分子动力学 低能粒子 表面原子产额 空位缺陷 溅射