Electromagnetic and Quantum Simulator for Silicon Nanostructures

硅纳米结构提供了有趣的光学和电学特性，使其成为光学检测、能量收集、生化传感等领域的理想应用。为了优化由这些纳米结构组成的器件的性能，这些结构的量子和电磁行为的模拟工具是必要的，特别是在这个领域工作的实验工作者。由于许多应用程序同时使用这两种特性，因此仿真工具应该同时考虑电磁和量子计算。目前在这个领域还没有商业工具。本文提出了用于预测硅纳米线和纳米结构光学性能的仿真代码。这些代码将包括模拟用于太阳能电池、光电探测器、光学成像仪等的排列和无序硅纳米线的电磁性能。模拟方法将包括我们提出的有效指数近似和米散射公式。本文还将基于k.p矩阵方法开发光子-载流子相互作用的编码。利用模式空间实现和非平衡格林函数模拟纳米线中产生的电流。这些结果将与我们已经发表的实验结果进行验证。在本项目结束时，我们将提供模拟硅纳米结构光学特性所需的所有子工具，这些子工具将来可以组合成一个单一的模拟工具。该项目的成功将使CodeSScientific在为硅纳米结构特别是硅光子学提供模拟工具方面处于市场领先地位，这是加拿大非常感兴趣的领域。

Silicon nanostructures provide intetresting optical and electrical properties making them ideal for a number of applications in optical detection, energy harvesting, bio-chemical sensing etc. In order to optimize the performance of devices consisting of these nanostructures, simulation tools for both the quantum and electromagnetic behavior of these structures are required especially to the experimentalists working in this area. Since, many application use both the properties, simulation tools should consider both the electromagnetic and quantum calculations. No commercial tools exist today in this domain. In this proposal, simulation codes for predicting the optical performance of silicon nanowires and nanostructures is proposed. The codes will include simulating the electromagnetic performance of arrayed and disordered silicon nanowires for applications in solar cells, photodetectors, optical imagers etc. Simulation methodology will include our proposed effective index approximations and Mie-scattering formulation. Codes will also be developed for photon-carrier interactions based on k.p matrix method. Genereated current in the nanowires will be simulated with mode space implementation and non-equilibrum Green's function. The results will be verified with our already published experimental results. At the end of this project, we will deliver all the sub-tools required to simulate optical properties of silicon nanostructures which can be combined into a single simulation tool in future. The success of the project will allow CodeSScientific to take a market lead in providing simulation tools for silicon nanostructures especially for silicon photonics, a field of great interest to Canada.