报告题目：Model Hamiltonians for Ferroelectrics, Antiferroelectrics and Multiferroics

报 告 人：Laurent Bellaich

报告时间：2022年1月11日上午8:30

报告地点：唐敖庆楼B521 Zoom ID 854 3951 3604

报告摘要：

Density functional theory and the related first-principle methods provide us an excellent toolkit for understanding physical phenomena in condensed matter and designing novel materials. In the field of ferroics (e.g., ferroelectrics, antiferroelectrics and multiferroics), first-principle calculations have gain great success to interpret e.g., the origin of ferroelectricity, magnetism and magnetoelectric couplings, and to predict a sequence of materials such as room-temperature multiferroics. However, first-principle calculation seems powerless to treat mesoscopic-scale phenomena of ferroics -- for example, domain wall dynamics -- involving large supercells. Developing atomistic approaches based on first-principle calculations are thus highly desired. This talk will review (1) the main ideas behind the construction of atomistic first-principle-based approaches that allow to treat supercells containing up to 1 million atoms at finite temperature; and (2) many of their applications to investigate or reveal complex phenomena in ferroelectrics, antiferroelectrics and multiferroics.

报告人简介：

Prof. Laurent Bellaiche is currently a Distinguished Professor at the physics department of University of Arkansas. He is working in the field of computational condensed matter physics, with the interests lying in developing and/or using direct first-principles methods, first-principles-based techniques and semi-empirical approaches to solve complex scientific issues in ferroelectric, magnetic, multiferroic, and optic communities. So far, he has published more than 350 papers in prestigious journals such as Nature, Nature Materials, Nature Physics and Physical Review Letters, with a total of ~19000 citations (h-index: 73). Prof. Laurent Bellaiche has been elected a fellow of the American Physical Society for his pioneering contributions to the first-principles theory of semiconductor alloys and ferroelectric materials.

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