CDS&E: Fast Computational Methods for Quantum Simulation of 2D Spintronic and Electronic Devices

CDS

• 批准号: 1904580
• 负责人: Jing Guo
• 金额: $ 33.01万
• 依托单位: University of Florida
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-08-01 至 2023-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1904580&HistoricalAwards=false
• 关键词: CDS& Fast; Computational; Methods; Quantum

Nontechnical:New technologies such as artificial intelligence and the Internet of Things have driven ever increasing demands for computer processing and data storage. There is accordingly an imperative need to develop semiconductor memory and computing devices based on new physical mechanisms and materials for improved performance and power efficiency. Spintronics uses the physical property of electron spin rather than charge, with implications in the efficiency of data storage and transfer. Atomically thin two-dimensional (2D) semiconductors are promising materials with unique physical properties. These new phenomena and materials hold promise for developing new devices and circuits. Computer-aided simulation and design have played an essential and critical role in enabling modern electronics. Fast computational methods and computer-aided design tools for the new classes of 2D spintronic and electronic devices, however, have remain largely undeveloped. This hinders their adoption in future computing and data storage technologies. To address this deficiency, new simulation methods and novel computational techniques will be developed in this project. These will enable fast quantum simulations and design of 2D spintronic and electronic devices. The findings from the proposed effort will have direct impact on research areas such as advanced device design, high-performance computing, low-power electronics, new memory devices, and flexible electronics. Simulation codes and tools will be developed and shared with the research and education community, and students from high school to graduate levels will be engaged in this project.Technical:The goals of the project are to develop fast computational methods and approximations to significantly reduce the computational complexity and improve the computational efficiency for quantum simulation of 2D devices and to explore their applications and limitations in simulation and design of 2D spintronic and electronic devices. The proposed research activities include: (i) develop an unraveling technique for 2D device simulations, which turns the coupled matrix equations in the non-equilibrium Greens function simulations to uncoupled stochastic wave vector equations, (ii) develop scalable, high-performance solutions to the quantum transport equation by taking advantage of the massively parallel general purpose graphics processing unit computational platform, (iii) efficiently treat the transverse dimension of the 2D spintronic and electronic devices by exploiting two approximate methods, (iv) develop a correlation function mixing method to achieve fast and stable convergence, and (v) apply the above computational methods to develop new simulation capabilities and tools for a test suite of transition metal dichalcogenide and devices based on topological insulators (TIs). The project develops the essential knowledge base for computational methods in quantum device simulations, and paves the way toward computationally efficient simulation tools for devices based on the physical properties unique to 2D semiconductors and topological insulators.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.

非技术性：人工智能和物联网等新技术推动了对计算机处理和数据存储的需求不断增长。因此，迫切需要开发基于新物理机制和材料的半导体存储器和计算设备，以提高性能和功率效率。自旋电子学利用电子自旋而不是电荷的物理特性，这对数据存储和传输的效率有影响。原子薄二维（2D）半导体是具有独特物理性质的有前途的材料。这些新现象和材料有望开发新设备和电路。计算机辅助仿真和设计在现代电子产品的实现中发挥了重要且关键的作用。然而，用于新型二维自旋电子和电子器件的快速计算方法和计算机辅助设计工具在很大程度上仍未开发出来。这阻碍了它们在未来计算和数据存储技术中的采用。为了解决这一缺陷，该项目将开发新的模拟方法和新颖的计算技术。这些将使快速量子模拟以及二维自旋电子和电子设备的设计成为可能。拟议工作的结果将对先进设备设计、高性能计算、低功耗电子设备、新型存储设备和柔性电子设备等研究领域产生直接影响。将开发仿真代码和工具并与研究和教育界共享，高中到研究生水平的学生都将参与该项目。技术：该项目的目标是开发快速计算方法和近似值，以显着降低计算复杂性并提高二维器件量子模拟的计算效率，并探索其在二维自旋电子和电子器件模拟和设计中的应用和局限性。拟议的研究活动包括：（i）开发二维器件模拟的解析技术，将非平衡格林函数模拟中的耦合矩阵方程转换为非耦合随机波矢量方程，（ii）开发可扩展的高性能解决方案通过利用大规模并行通用图形处理单元计算平台来计算量子输运方程，（iii）通过利用两种近似方法有效地处理二维自旋电子和电子器件的横向尺寸，（iv）开发一个相关函数混合方法以实现快速稳定的收敛，以及（v）应用上述计算方法为过渡金属二硫属化物和基于拓扑绝缘体（TI）的器件测试套件开发新的模拟功能和工具。该项目为量子器件模拟中的计算方法开发了必要的知识库，并为基于二维半导体和拓扑绝缘体独特的物理特性的器件的计算高效的模拟工具铺平了道路。该奖项反映了 NSF 的法定使命，并被认为是值得的通过使用基金会的智力优势和更广泛的影响审查标准进行评估来获得支持。

项目成果

Phase Transition of MoTe 2 Controlled in van der Waals Heterostructure Nanoelectromechanical Systems

范德华异质结构纳米机电系统中 MoTe 2 相变的控制

• DOI: 10.1002/smll.202205327
• 发表时间: 2022
• 期刊: Small
• 影响因子: 13.3
• 作者: Ye, Fan;Islam, Arnob;Wang, Yanan;Guo, Jing;Feng, Philip X. ‐L.
• 通讯作者: Feng, Philip X. ‐L.

High tunnelling electroresistance in a ferroelectric van der Waals heterojunction via giant barrier height modulation

• DOI: 10.1038/s41928-020-0441-9
• 发表时间: 2020-07-06
• 期刊: NATURE ELECTRONICS
• 影响因子: 34.3
• 作者: Wu, Jiangbin;Chen, Hung-Yu;Wang, Han
• 通讯作者: Wang, Han

Multiscale Simulation of Ferroelectric Tunnel Junction Memory Enabled by van der Waals Heterojunction: Comparison to Experiment and Performance Projection

• DOI: 10.1109/iedm13553.2020.9371964
• 发表时间: 2020-01-01
• 期刊: 2020 IEEE INTERNATIONAL ELECTRON DEVICES MEETING (IEDM)
• 作者: Yang, Ning;Chen, Hung-Yu;Guo, J.
• 通讯作者: Guo, J.

Speed Up Quantum Transport Device Simulation on Ferroelectric Tunnel Junction With Machine Learning Methods

利用机器学习方法加速铁电隧道结的量子传输装置模拟

• DOI: 10.1109/ted.2020.3025982
• 发表时间: 2020
• 期刊: IEEE Transactions on Electron Devices
• 影响因子: 3.1
• 作者: Wu, Tong;Guo, Jing
• 通讯作者: Guo, Jing

Sub-10-nm graphene nanoribbons with atomically smooth edges from squashed carbon nanotubes

• DOI: 10.1038/s41928-021-00633-6
• 发表时间: 2021-09-06
• 期刊: NATURE ELECTRONICS
• 影响因子: 34.3
• 作者: Chen, Changxin;Lin, Yu;Dai, Hongjie
• 通讯作者: Dai, Hongjie