Collaborative Research: High-order Phonon Scattering and Highly Nonequilibrium Carrier Transport in Two-dimensional Electronic and Optoelectronic Materials

合作研究：二维电子光电材料中的高阶声子散射和高度非平衡载流子输运

• 批准号: 2015946
• 负责人: Xiulin Ruan
• 金额: $ 20.82万
• 依托单位: Purdue University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-07-15 至 2023-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2015946&HistoricalAwards=false
• 关键词: Collaborative; Research; order; Phonon; Scattering

Semiconductor research and development over the past several decades have enabled widespread use of electronic devices in society. However, the semiconductor industry is facing significant challenges, such as the difficulty in dissipating the large amount of heat generated in silicon electronic chips. The challenges have motivated the investigation of emerging two-dimensional (2D) electronic materials because of their superior electronic and thermal properties. One representative 2D material is graphene that is made of a single layer of carbon atoms. However, compared to the abundant knowledge of silicon electronics, there is only limited understanding of heat dissipation in 2D electronic materials. Therefore, the goal of this project is to establish an in-depth understanding of the distinctly different heat generation and dissipation processes in 2D materials and devices. The obtained knowledge will be used to develop open-source simulation tools, enhance online courses and classroom instruction, and develop hands-on outreach activities to improve the recruitment and training of a diverse population of next-generation workforce in thermal engineering. The goal of this project is to understand the unique fundamental mechanisms underlying heat generation and conduction processes in emerging 2D electronic and optoelectronic materials, including graphene and transition metal dichalcogenides (TMD). Specifically, three outstanding questions that are relevant to the performance and thermal reliability of 2D electronic and optoelectronic materials will be addressed: (1) the importance of four-phonon scattering processes in graphene and other 2D materials; (2) the length scales for different phonon polarizations and electronic excitations to establish local thermal equilibrium in 2D semiconductors; and (3) the phonon mode conversion and transmission processes across the dimensionally mismatched interfaces between a 2D layer and its 3D support. The questions will be addressed via first principles and atomistic theoretical calculations that resolve the modal scattering and coupling behaviors of phonons and electrons, in conjunction with thermal transport and inelastic light scattering measurements of graphene and TMD. Improved understanding of the three specific questions helps to build the foundation for modeling and controlling heat dissipation processes in 2D materials and devices.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.

过去几十年的半导体研究和开发已经使得电子设备在社会中得到广泛使用。然而，半导体行业正面临重大挑战，例如难以消散硅电子芯片中产生的大量热量。这些挑战激发了对新兴的二维（2D）电子材料的研究，因为它们具有上级电子和热性能。一种代表性的2D材料是由单层碳原子制成的石墨烯。然而，相对于硅电子学的丰富知识，人们对2D电子材料中的散热只有有限的了解。因此，本项目的目标是深入了解2D材料和器件中明显不同的热生成和耗散过程。所获得的知识将用于开发开源模拟工具，加强在线课程和课堂教学，并开发实践推广活动，以改善对热工程下一代劳动力的招聘和培训。 该项目的目标是了解新兴的2D电子和光电材料（包括石墨烯和过渡金属二硫属化物（TMD））中热生成和传导过程的独特基本机制。具体而言，将解决与2D电子和光电子材料的性能和热可靠性相关的三个突出问题：（1）石墨烯和其他2D材料中四声子散射过程的重要性;（2）不同声子极化和电子激发的长度尺度，以建立2D半导体中的局部热平衡;以及（3）在2D层和其3D支撑之间的尺寸失配界面上的声子模式转换和传输过程。这些问题将通过第一原理和原子理论计算解决声子和电子的模式散射和耦合行为，结合石墨烯和TMD的热输运和非弹性光散射测量来解决。对这三个具体问题的深入理解有助于为二维材料和器件中的散热过程建模和控制奠定基础。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Effects of hot phonons and thermal stress in micro-Raman spectra of molybdenum disulfide

• DOI: 10.1063/5.0122945
• 发表时间: 2022-06
• 期刊: Applied Physics Letters
• 影响因子: 4
• 作者: Peter Sokalski;Zherui Han;G. Fleming;Brandon Smith;Sean E. Sullivan;R. Huang;X. Ruan;Li Shi

Raman Linewidth Contributions from Four-Phonon and Electron-Phonon Interactions in Graphene

• DOI: 10.1103/physrevlett.128.045901
• 发表时间: 2022-01-25
• 期刊: PHYSICAL REVIEW LETTERS
• 影响因子: 8.6
• 作者: Han, Zherui;Yang, Xiaolong;Ruan, Xiulin
• 通讯作者: Ruan, Xiulin

FourPhonon: An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity

• DOI: 10.1016/j.cpc.2021.108179
• 发表时间: 2021-10-01
• 期刊: COMPUTER PHYSICS COMMUNICATIONS
• 影响因子: 6.3
• 作者: Han, Zherui;Yang, Xiaolong;Ruan, Xiulin
• 通讯作者: Ruan, Xiulin

Prediction of hot zone-center optical phonons in laser-irradiated molybdenum disulfide with a semiconductor multitemperature model

• DOI: 10.1103/physrevb.107.l041407
• 发表时间: 2022-06
• 期刊: Physical Review B
• 影响因子: 3.7
• 作者: Zherui Han;Peter Sokalski;Li Shi;X. Ruan

Fast and accurate machine learning prediction of phonon scattering rates and lattice thermal conductivity

• DOI: 10.1038/s41524-023-01020-9
• 发表时间: 2023-06
• 期刊: npj Computational Materials
• 影响因子: 9.7
• 作者: Ziqi Guo;Prabudhya Roy Chowdhury;Zherui Han;Yixuan Sun;Dudong Feng;Guang Lin;X. Ruan