Correlation of photoelectric, dynamical, electron and optical properties of semiconductors, surfaces and nanosystems: from theory to experiment

半导体、表面和纳米系统的光电、动力学、电子和光学特性的相关性：从理论到实验

• 批准号: 298169-2008
• 负责人: Chkrebtii, Anatoli
• 金额: $ 0.95万
• 依托单位: University of Ontario Institute of Technology
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2009
• 资助国家: 加拿大
• 起止时间: 2009-01-01 至 2010-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=427427
• 关键词: Correlation; photoelectric; dynamical; electron; optical

The proposed research program is in the fields of solid state physics, materials science and renewable energy. In particular, it focuses on extensive computer simulations of microscopic electronic, dynamical and optical properties of semiconductors, metals and nanomaterials in a wide temperature range. The fundamental results obtained will be used for (i) optical non-invasive monitoring of materials in a wide temperature range and active chemical environments; (ii) determination of the macroscopic properties through "computer experiments" that will be compared to actual experiment and (iii) optimization of new materials and systems by combining the above micro- and macro-properties. The materials include wide-gap semiconductors used for bright displays, crystalline, amorphous, poly-crystalline and nano-crystalline silicon for thin film solar cells, and new materials such as carbon nanotubes, for the next generation of photovoltaics. Diamond will also be modeled, not only due to its "quantum crystal" behaviour, but also because polycrystalline diamond has already found extensive application in modern technology and industry. It is predicted that nano-diamonds will revolutionize side effect-free drug delivery in medicine, and optical techniques still remains the main tool to experimentally characterize such promising materials. It is important to stress that the verification of theoretical results will be done through close collaboration with a few renowned experimental groups working in the areas of implementation of the optical techniques and growth of layered or nano systems for both microelectronic and photovoltaic applications. The research will be based on intensive use of High Performance Computing SHARCNET (Shared Hierarchical Research Computing Network) facilities. The program will deliver training and learning combined with advanced research in solid state physics, computing science, and renewable energy and will actively involve undergraduate and graduate students and postdoctoral fellows in investigations, preparation of research reports, conference presentations and publishing of research papers. The HQP will be exposed to both national and international research communities through joint collaboration.

拟议的研究计划是在固态物理，材料科学和可再生能源领域的。特别是，它着重于广泛的计算机模拟，对宽温度范围内的半导体，金属和纳米材料的微观电子，动力学和光学性质。获得的基本结果将用于（i）在较宽的温度范围内对材料和活跃化学环境的光学非侵入性监测； （ii）通过“计算机实验”来确定宏观特性，该特性将与实际实验和（iii）通过结合上述微型和宏观普罗伯特的实际实验和（iii）优化新材料和系统。这些材料包括用于明亮显示的宽间隙半导体，用于薄膜太阳能电池的晶体，无定形，多晶细胞和纳米晶体硅，以及碳纳米管等新材料，用于下一代光伏电池。钻石还将建模，不仅是由于其“量子晶体”行为，而且还因为多晶钻石已经在现代技术和工业中发现了广泛的应用。据预测，纳米钻石将彻底改变医学中无副作用的药物输送，而光学技术仍然是实验表征这种有前途的材料的主要工具。重要的是要强调，将通过与一些在实施光学技术实施领域的著名实验组进行密切合作来验证理论结果，以及用于微电动和光伏应用的分层或纳米系统的增长。这项研究将基于高性能计算Sharcnet（共享层次研究计算网络）设施的大量使用。该计划将提供培训和学习，结合固态物理学，计算科学和可再生能源的高级研究，并积极涉及本科生和研究生以及博士后研究员的研究，准备研究报告，会议演讲和研究论文的发表。 HQP将通过联合合作接触到国家和国际研究社区。