RII Track--4: Controlling Point-Defect Energetics in Complex Oxides Via Interfacial Strain

RII Track--4：通过界面应变控制复杂氧化物中的点缺陷能量

• 批准号: 2245128
• 负责人: Dilpuneet Aidhy
• 金额: $ 20.29万
• 依托单位: Clemson University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-10-01 至 2024-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2245128&HistoricalAwards=false
• 关键词: RII; Track; Controlling; Point; Defect

What silicon was to the 20th century, quantum materials are to the 21st. A million times faster computers than today's most powerful supercomputers, or, electricity transported across the national grid at no loss, is the sort of future that will be realized by the power of quantum materials. Realizing this vision requires developing new materials and understanding key materials features that give rise to such incredible properties. Interfacial oxide materials, i.e., those formed by joining of two different oxide materials, are one of such promising materials. An example of an interfacial oxide material is an interface between LaNiO3 and SrTiO3. Because these two materials have different distances between their atoms, when joined to form an interface, their atomic bonds are strained that can lead to creation of defects, i.e., loss of specific oxygen atoms. Creation of these defects has been proposed to be a key underlying reason of such exciting properties. In this project, we focus on understanding the critical correlation between strain and oxygen defects such that the defects could be controlled, at will. This work will advance Wyoming's vision of computational sciences, develop basic understanding of designing quantum materials, and contribute to "The Quantum Leap: Leading the Next Quantum Revolution" which is one of the next ten big NSF ideas.The interface structure formed by joining two different complex oxides (chemical formula ABO3) contains an interfacial strain which leads to formation of oxygen vacancies at the interface. These vacancies are considered to be one of key reasons inducing many novel electronic properties. The overarching goal of the proposal is to develop a fundamental understanding of the correlation between interfacial strain and oxygen vacancies in LaNiO3 grown on SrTiO3. This correlation will allow control over the stability (i.e., location and concentration) of vacancies via strain, at will. In-situ X-ray Photon Correlation Spectroscopy (XPCS) experiments at Advanced Photon Source (APS) in Argonne National Laboratory and density functional theory calculations will be used to elucidate the thermodynamics and kinetics of phase transitions in LaNiOx phases, which appears to be induced via the ordering and disordering of the oxygen vacancies. This understanding will advance the science of gaining control over the metal-insulator transition temperature in LaNiO3.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.

到20世纪的硅是什么，量子材料到21日。一百万倍的计算机比当今最强大的超级计算机（或无损失）运输的电力更快，是量子材料的力量所实现的那种未来。意识到这一愿景需要开发新材料并了解引起如此令人难以置信的特性的关键材料特征。界面氧化物材料，即通过两种不同的氧化物材料形成的氧化物材料是这种有前途的材料之一。界面氧化物材料的一个例子是LANIO3和SRTIO3之间的界面。由于这两种材料之间的原子之间有不同的距离，因此连接形成界面时，它们的原子键紧张，可能导致缺陷的产生，即特定的氧原子的丧失。已经提出这些缺陷的创建是这种令人兴奋的特性的关键原因。在这个项目中，我们专注于理解应变和氧缺陷之间的关键相关性，以便可以随意控制缺陷。 This work will advance Wyoming's vision of computational sciences, develop basic understanding of designing quantum materials, and contribute to "The Quantum Leap: Leading the Next Quantum Revolution" which is one of the next ten big NSF ideas.The interface structure formed by joining two different complex oxides (chemical formula ABO3) contains an interfacial strain which leads to formation of oxygen vacancies at the interface.这些空缺被认为是引起许多新型电子特性的关键原因之一。该提案的总体目标是对SRTIO3上生长的LANIO3中的界面菌株与氧气空位之间的相关性发展基本理解。这种相关性将允许通过应变来控制空缺的稳定性（即位置和浓度）。 Argonne国家实验室和密度功能理论计算中的高级光子源（APS）的原位X射线光子相关光谱（XPCS）实验将用于阐明LANIOX阶段中相位过渡的热力学和动力学，这似乎是通过氧化和氧气发射的序列诱导的。这种理解将提高对LANIO中金属 - 绝缘体过渡温度的控制的科学。该奖项反映了NSF的法定任务，并且使用基金会的知识分子优点和更广泛的影响审查标准，被认为值得通过评估来获得支持。