题目:Stretch the limit of first-principles calculation to correlated materials
报告人:刘峥清华大学高等研究院
地点:教十二-201
时间:5月31日,周一,15:40-16:40
摘要:
Density functional theory (DFT) is practically a static mean-field theory, and it is commonly perceived that the application of this method to strongly-correlated systems is severely restricted. Nevertheless, this talk aims to show that by carefully designing the calculation, DFT can still provide important physical insights. I will illustrate this perspective based on several examples, including Mott physics in 1T-TaS2, vacancy ordering in high-Tc cuprates, and hyperfine coupling in frustrated magnets. I will discuss why and how these properties are DFT calculable, and benchmark the calculation results with experiments.
个人简介
刘峥,清华大学高等研究院研究员,博士生导师。2006年清华大学物理系本科毕业。2012年在清华大学高等研究院获物理学博士学位。2012年博士毕业后在美国犹他大学做博士后研究。2015年起任清华大学高等研究院副研究员。2020年12月起任研究员。主要关注凝聚态物理与材料科学的交叉领域,特别侧重凝聚态理论前沿进展(如拓扑序、分数化、量子阻挫)与实际材料的对接。主要基于成熟的第一性原理计算方法模拟材料的相关特性,进而提炼抽象物理模型关注的关键信息,并为实验上材料的制备、表征和调控提供理论支持。已发表论文40余篇,其中Physical Review Letters 9篇,Physical Review X 1 篇,Nature Communications 1篇。
欢迎老师和同学参加!