CAREER: A multi-scale and hierarchical computational framework to model III-nitride devices operating in the near-terahertz regime

职业：多尺度和分层计算框架，用于模拟在近太赫兹区域运行的 III 族氮化物器件

• 批准号: 2237663
• 负责人: Shaloo Rakheja
• 金额: $ 55万
• 依托单位: University of Illinois at Urbana-Champaign
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2023
• 资助国家: 美国
• 起止时间: 2023-05-01 至 2028-04-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2237663&HistoricalAwards=false
• 关键词: CAREER; multi; scale; hierarchical; computational

Wide and ultrawide bandgap III-nitride semiconductors have the foundational capability to meet the power and frequency requirements of near-terahertz communication systems with bandwidths exceeding 100 gigahertz. III-nitrides are also well positioned to be used in extreme environments, from the cryogenic limit to high temperatures. However, the demonstrated performance of III-nitride devices today is still below theoretical expectations, and the promise of III-nitrides for near-terahertz applications remains unfulfilled. Still experimental advances in isolation of theoretical advances are unlikely to change this existing landscape. To tackle this challenge, in this research, we will create a multi-scale and hierarchical computational framework that will provide a high fidelity insight into the underlying physics of III-nitride devices at different length-, time-, and temperature-scales. These fundamental insights are crucial for identifying material- and device-level advances that will push the bounds of III-nitrides’ based wireless technologies, be it for commercial wireless communication or scientific investigations in extreme environments. This research will have a far reaching impact in areas like healthcare, energy, transportation, space programs, and social and educational advancements. The models developed here will be fully open-source and available to researchers world-wide, amplifying the scale and impact of this research. We will inaugurate an afterschool semiconductors-focused summer camp for middle school students and collaborate with the Inclusivity, Diversity, Equity and Access Institute at the University to recruit low-income and minority students in the department and in our research lab. Web-based learning library on semiconductor physics will be developed to encourage students to think creatively about the possibilities of semiconductors in next-generation electronic systems. The success of this research, outreach and educational plan holds promise to result in decades of productive fundamental knowledge, contribute to translation into important near-terahertz technologies, and motivate the participation and retention of a diverse community of electrical engineers, materials scientists, and physicists.Modeling and simulation tools are the cornerstones of the physics-based and application-driven device and circuit design. Because III-nitride devices are intended for use in high-field and high-frequency applications, current models that neglect Maxwell’s full-wave effects and full-band physics fail at guiding experiments for technology optimization and cannot fully explore the materials-to-circuit design space, which is highly desirable for meeting target performance metrics. Thus, it is safe to say that a fundamental rethinking of computational methodologies for III-nitride devices will be a game-changer for a myriad of near-terahertz applications that can address some of the biggest challenges of current and future times. In this research, we will create a multi-scale computational framework that combines first-principles calculations through numerical transport simulations to a compact circuit model. This framework will identify new theoretical means to interrogate and control the high-frequency and off-equilibrium physics of the near-terahertz III-nitride devices. Salient features of this computational framework include full electronic bandstructure, hot-electron effects, self-heating, quantum-mechanical scattering, charge trapping, low-temperature physics, and full-wave electromagnetics. Because the numerical framework will be complemented with a SPICE-compatible and experimentally validated compact model, the proposed research will enable large-scale circuit simulations and systems design. The outcomes of this research will benefit many stake holders, from material scientists to circuit designers, and enable cross-disciplinary interactions that will set the global stage for multi-generational research in wide and ultrawide bandgap semiconductors.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

宽禁带和超宽带隙III族氮化物半导体具有满足带宽超过100GHz的近太赫兹通信系统的功率和频率要求的基础能力。 III 氮化物也非常适合在从低温极限到高温的极端环境中使用。然而，目前 III 族氮化物器件所展示的性能仍低于理论预期，并且 III 族氮化物在近太赫兹应用中的前景仍未实现。脱离理论进步的实验进展仍然不太可能改变这种现有的格局。为了应对这一挑战，在这项研究中，我们将创建一个多尺度和分层的计算框架，该框架将为不同长度、时间和温度尺度的 III 族氮化物器件的基础物理提供高保真度的洞察。这些基本见解对于确定材料和设备级的进步至关重要，这些进步将推动基于 III 氮化物的无线技术的发展，无论是商业无线通信还是极端环境中的科学研究。这项研究将对医疗保健、能源、交通、太空计划以及社会和教育进步等领域产生深远的影响。这里开发的模型将完全开源，可供世界各地的研究人员使用，扩大这项研究的规模和影响。我们将为中学生开设一个以半导体为重点的课后夏令营，并与大学的包容性、多样性、公平和准入研究所合作，在该系和我们的研究实验室招募低收入和少数族裔学生。将开发基于网络的半导体物理学习图书馆，以鼓励学生创造性地思考半导体在下一代电子系统中的可能性。这项研究、推广和教育计划的成功有望带来数十年的富有成效的基础知识，有助于转化为重要的近太赫兹技术，并激励电气工程师、材料科学家和物理学家等多元化社区的参与和保留。建模和仿真工具是基于物理和应用驱动的设备和电路设计的基石。由于III族氮化物器件旨在用于高场和高频应用，因此忽略麦克斯韦全波效应和全带物理的当前模型无法指导技术优化实验，并且无法充分探索材料到电路的设计空间，而这对于满足目标性能指标是非常需要的。因此，可以肯定地说，对 III 族氮化物器件的计算方法进行根本性的重新思考将成为无数近太赫兹应用的游戏规则改变者，这些应用可以解决当前和未来时代的一些最大挑战。在这项研究中，我们将创建一个多尺度计算框架，通过数值传输模拟将第一原理计算结合到紧凑的电路模型中。该框架将确定新的理论方法来询问和控制近太赫兹 III 氮化物器件的高频和非平衡物理现象。该计算框架的显着特征包括全电子能带结构、热电子效应、自加热、量子力学散射、电荷捕获、低温物理和全波电磁学。由于数值框架将得到 SPICE 兼容且经过实验验证的紧凑模型的补充，因此所提出的研究将实现大规模电路仿真和系统设计。这项研究的成果将使从材料科学家到电路设计师的许多利益相关者受益，并实现跨学科互动，为宽禁带和超宽带隙半导体的多代研究奠定全球舞台。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。