Time-dependent quantum simulation of nanodevices

纳米器件的时间相关量子模拟

• 批准号: 0925422
• 负责人: Kalman Varga
• 金额: $ 29.58万
• 依托单位: Vanderbilt University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-09-01 至 2013-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0925422&HistoricalAwards=false
• 关键词: Time; dependent; quantum; simulation; nanodevices

During the last few years impressive progress has been achieved in the development, fabrication and practical implementation of nanodevices to bridge the terahertz gap. The terahertz gap, lying roughly between 100 GHz and 30 THz, exists because the operating because the operating frequencies of transistors and lasers (typical semiconductor devices) do not overlap. The realization of THz nanodevices extends the range of electronics beyond the 100GHz barrier which is a major breakthrough leading to new transistors with higher speed, lower power usage and reduced heat generation. Besides important applications in security, biological sensing/imaging and high speedcommunications, the THz techniques allow probing electron dynamics in nanostructures observing electron propagation in real time. This research addresses the theoretical and and quantum simulation challenges of emerging new nanodevices operating at the terahertz (THz) region and beyond. The theoretical description and computational simulation of these systems is challenging because one should use time-dependent quantum mechanical approach with time-varying electromagnetic fields. This work represent the first systematic approach to studying the high frequency behaviour of nanodevices by time-dependent quantum simulations. The research will primarily focus on simulating and predicting the high-frequency behaviour of prototypical nanodevices, such as nanowires, carbon nanotubes, graphene, molecular device based field-effect transistors (FETs) and realistic (e.g. FINFET) transistors. The key contribution will be in providing quantitative descriptions of AC characteristics and high frequency properties of novel nanodevices including graphene, carbon nanotube, silicon nanowire transistors and nanoscale FINFETs. The results will be validated against experimental data through collaborations with experimental groups and will ultimately be cast in a form that will be suitable for incorporation in compact models for circuit modeling so that they can serve in the design of emerging technologies.

在过去的几年中，在弥合太赫兹差距的纳米器件的开发、制造和实际实施方面取得了令人瞩目的进展。太赫兹间隙大约位于 100 GHz 和 30 THz 之间，其存在是因为晶体管和激光器（典型半导体器件）的工作频率不重叠。太赫兹纳米器件的实现将电子产品的范围扩展到了 100GHz 之外，这是一项重大突破，导致新型晶体管具有更高的速度、更低的功耗和更少的热量产生。 除了在安全、生物传感/成像和高速通信方面的重要应用之外，太赫兹技术还可以探测纳米结构中的电子动力学，实时观察电子传播。 这项研究解决了在太赫兹（THz）区域及以上运行的新兴纳米器件的理论和量子模拟挑战。 这些系统的理论描述和计算模拟具有挑战性，因为我们应该使用具有时变电磁场的瞬态量子力学方法。这项工作代表了第一个通过时间相关的量子模拟来研究纳米器件高频行为的系统方法。该研究将主要集中于模拟和预测原型纳米器件的高频行为，例如纳米线、碳纳米管、石墨烯、基于分子器件的场效应晶体管（FET）和现实晶体管（例如FINFET）。关键贡献在于提供新型纳米器件（包括石墨烯、碳纳米管、硅纳米线晶体管和纳米级 FINFET）的交流特性和高频特性的定量描述。结果将通过与实验小组的合作根据实验数据进行验证，并最终以适合合并到电路建模的紧凑模型中的形式出现，以便它们可以用于新兴技术的设计。