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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

基本信息

批准号：
1929112
负责人：
Dilpuneet Aidhy
金额：
$ 20.29万
依托单位：
University of Wyoming
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：
2019-12-01 至 2022-10-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1929112&HistoricalAwards=false
关键词：
RII Track Controlling Point Defect

项目摘要

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.

量子材料之于21世纪，就像硅之于20世纪世纪。比当今最强大的超级计算机快一百万倍的计算机，或者说，通过国家电网传输的电力没有损失，是量子材料的力量将实现的未来。实现这一愿景需要开发新材料，并了解产生这种令人难以置信的特性的关键材料特征。界面氧化物材料，即，通过连接两种不同的氧化物材料而形成的那些是这样的有前景的材料之一。界面氧化物材料的实例是LaNiO 3和SrTiO 3之间的界面。因为这两种材料在它们的原子之间具有不同的距离，所以当连接以形成界面时，它们的原子键被拉紧，这可能导致缺陷的产生，即，失去特定的氧原子。这些缺陷的产生被认为是这种令人兴奋的特性的关键根本原因。在这个项目中，我们专注于了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。这项工作将推进怀俄明州的计算科学视野，发展对设计量子材料的基本理解，并有助于“量子飞跃：引领下一次量子革命”，这是美国国家科学基金会的未来十大想法之一。通过连接两种不同的复合氧化物（化学式ABO 3）形成的界面结构包含界面应变，导致在界面处形成氧空位。这些空位被认为是导致许多新颖电子性质的关键原因之一。该提案的总体目标是发展一个基本的理解之间的相关性的界面应变和氧空位生长在SrTiO 3上的LaNiO 3。这种相关性将允许控制稳定性（即，位置和浓度）的空缺通过应变，在意志。在阿贡国家实验室的先进光子源（APS）的原位X射线光子相关光谱（XPCS）实验和密度泛函理论计算将被用来阐明在LaNiOx相，这似乎是通过有序和无序的氧空位诱导的相变的热力学和动力学。这一认识将推动控制LaNiO 3金属-绝缘体转变温度的科学。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。