Collaborative Research: FuSe: High-throughput Discovery of Phase Change Materials for Co-designed Electronic and Optical Computational Devices (PHACEO)

合作研究：FuSe：用于共同设计的电子和光学计算设备的相变材料的高通量发现（PHACEO）

• 批准号: 2329087
• 负责人: Carlos Rios Ocampo
• 金额: $ 101.36万
• 依托单位: University of Maryland, College Park
• 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: 2023-10-01 至 2026-09-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2329087&HistoricalAwards=false
• 关键词: Collaborative; Research; FuSe; throughput; Discovery

Non-technical DescriptionThe demand for energy needed to store and process data is growing at an unsustainable rate. New technologies are clearly needed. Phase change materials, which can dramatically change their electronic, optical, and physical properties during phase transitions, offer a promising solution. Their tunability makes them promising candidates for emerging applications such as energy efficient in-memory computing. This FuSe project will explore a new class of phase change materials that combine five or more elements in comparable amounts. The field of materials science has been captivated by the discovery of such “high entropy” materials. For example, high entropy ceramics have unique thermal and mechanical properties not possible with simpler compositions. In this project, investigators will combine computational materials discovery with combinatorial synthesis to realize high entropy phase change materials. The most promising candidates will be characterized comprehensively and integrated into electronic and photonic computational devices. The team will establish a robust pipeline to educate the next-generation workforce. They will offer rotational internships so that students can work at different universities and in cross-cutting fields and promote their success through mentoring. The team will also create a partnership between the University of Maryland and Howard University, an HBCU, to promote the direct exchange of research mentorship and training.Technical DescriptionThe central hypothesis driving this Future of Semiconductors project is that high-entropy phase change materials (PCMs) can form a thermodynamically stable single phase when elements randomly occupy one type of lattice site and are present in high concentrations rather than as dopants. This structure, stabilized by large configurational entropy, will enable development of PCMS with low/zero resistance drift and large bandgaps (1.5 eV) or extinction coefficient contrast (∆k~2-3) for optical memristors in the visible and infrared. The proposed research comprises four thrust topics to be conducted in a closed-loop fashion. 1) First-principles computation material discovery to predict previously unexplored entropy-stabilized PCMs. 2) Combinatorial synthesis via sputtering of selenides and tellurides and thermal evaporation of sulfides in order to explore multiple compositions in a single run. 3) Electrical, optical, structural, and compositional material characterization to reveal the intrinsic (permittivity, structure, vibrational modes, composition, conductivity, capacitance, etc.) and extrinsic (void formations, capping, geometry, substrates) factors dictating device performance. 4) Integration of PCMs into photonic and electronic devices to demonstrate optical and electrical memristors and memcapacitors with optimal performance.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.

非技术描述存储和处理数据所需的能源需求正在以不可持续的速度增长，显然需要新技术，它可以在相变过程中显着改变其电子、光学和物理特性，从而提供了一种有前景的解决方案。它们的可调谐性使它们成为节能内存计算等新兴应用的有希望的候选者，该 FuSe 项目将探索一种新型相变材料，该材料结合了五种或更多数量的元素。发现例如，高熵陶瓷具有简单成分不可能实现的独特热性能和机械性能，在该项目中，研究人员将把计算材料发现与组合合成结合起来，以实现高熵相变材料。该团队将建立一个强大的管道来教育下一代劳动力，他们将提供轮换实习机会，以便学生可以在不同的大学和交叉领域工作并提升他们的能力。成功通过该团队还将在马里兰大学和霍华德大学（HBCU）之间建立合作伙伴关系，以促进研究指导和培训的直接交流。技术说明推动这一半导体未来项目的中心假设是高熵相变指导材料（当元素随机占据一种类型的晶格位点并且以高浓度存在而不是作为掺杂剂时，PCM）可以形成热力学稳定的单相，这种由大构型熵稳定的结构将有助于开发。可见光和红外光忆阻器具有低/零电阻漂移和大带隙（1.5 eV）或消光系数对比度（Δk〜2-3）的PCMS的研究拟议的研究包括在封闭式中进行的四个推力主题。循环方式 1) 第一原理计算材料发现，以预测先前未探索的熵稳定相变材料 2) 通过硒化物和碲化物的溅射进行组合合成。和硫化物的热蒸发，以便在一次运行中探索多种成分 3) 电学、光学、结构和成分材料表征，以揭示本征（介电常数、结构、振动模式、成分、电导率、电容等）和决定器件性能的外在因素（空隙形成、封盖、几何形状、基底）4) 将 PCM 集成到光子和电子器件中以演示光学和电忆阻器。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。