硅烯与Ag表面的作用机理及其生长机制

硅烯是一种新型的狄拉克费米子电子体系，具有许多新颖的物理、化学性质，在电子、光电子和量子等领域有巨大的应用潜力。目前，硅烯的研究中存在一个亟需解决的基本问题，即硅烯与金属Ag（111）衬底的作用机理及其生长机制。尽管实验上声称观测到了硅烯的六角蜂巢状二维结构及其载流子的无质量狄拉克费米子行为，但是实验结果相互冲突，存在诸多疑问，对这一基本问题没有一致的结论。本申请从硅烯生长过程的初始阶段出发，研究硅原子和硅原子纳米团簇在金属Ag (111)表面上的吸附、迁移和生长过程，考虑硅原子覆盖率和衬底温度的影响，进而研究硅烯与金属Ag（111）表面的作用机理及其生长机制。本申请的研究结果对实验上合成高质量硅烯，正确理解硅烯性质和发掘其应用价值具有重要的指导意义。

Silicene is a new-type electron system of Dirac-fermion with many novel physical and chemical properties demonstrating substantial potential in applications in electronics, optoelectronics and quantum. However, there is a fundamental problem encountered in the current investigation of silicene immediately need to be solved, i.e., nature of the interaction between silicene and Ag (111) substrate and the mechanism of silicene growth. Although it declared in experiments that the hexagonal honeycomb structure in two-dimension and the massless Dirac-fermion behavior of carriers have been identified, the observations conflicted and questioned each other without consensus on the nature of this fundamental problem. Starting from the initial steps of silicene growth, in the present proposal, adsorption, diffusion and growth of silicon atom and silicon nanoclusters on Ag (111) surface will be studied, and then take the influences of silicon coverage and substrate temperature into account, and finally accomplish the nature of the interaction between silicene and Ag (111) surface and the mechanism of silicene growth. Our results are expected great help in experimental synthesizing silicene of high quality, thoroughly unraveling the properties and further exploring the application potential of silicene.