复旦大学   教授

腾讯会议：464-858-484

会议密码：0513             

会议链接：https://meeting.tencent.com/dm/WfRkJf6P6o1e

报告摘要：

We have developed a software package, namely, PASP (Property Analysis and Simulation Package for materials), to analyze the structural, electronic, magnetic, and thermodynamic properties of complex condensed matter systems. Our package integrates several functionalities including group theory analysis, global structure searching methods, tight-binding approach, machine learning algorithms, effective Hamiltonian methods, Monte Carlo simulation, and spin-lattice dynamic simulation methods. In conjunction with first-principles calculations, PASP has been successfully applied to diverse physical systems. For example, we predict that a Pb-free hybrid organic-inorganic perovskite N(CH3)4SnI3 with non-polar molecular cation has strong ferroelectricity, find that there may exist high-order spin interactions in 2D materials, propose a general theory for bilayer stacking ferroelectricity, propose the concept of unconventional ferroelectricity in violation of Neumann's principle and bilayer stacking ferrovalley.

Refs:

1.Junyi Ji, Guoliang Yu, Changsong Xu*, and H.？J. Xiang*, “General Theory for Bilayer Stacking Ferroelectricity”, Phys. Rev. Lett. 130, 146801 (2023).

2.Changsong Xu, X. Li, Peng Chen, Yun Zhang, H.？J. Xiang*, Laurent Bellaiche*, “Assembling Diverse Skyrmionic Phases in Fe3GeTe2 Monolayers”, Adv. Mater. 34, 2107779 (2022).

3.J.？Y. Ni, X.？Y. Li, D. Amoroso, X. He, J.？S. Feng*, E.？J. Kan, S. Picozzi, and H.？J. Xiang*, “Giant Biquadratic Exchange in 2D Magnets and Its Role in Stabilizing Ferromagnetism of NiCl2 Monolayers”, Phys. Rev. Lett. 127, 247204 (2021).

4.Hai Wei, Yali Yang, Shiyou Chen*, and H. J. Xiang*, “Lead-free Hybrid Perovskite N(CH3)4SnI3 with Robust Ferroelectricity Induced by Large and Non-Polar N(CH3)4+ Molecular Cation”, Nature Communications 12, 637(2021).

5.Feng Lou, X. Y. Li, J. Y. Ji, H. Y. Yu, J. S. Feng, X. G. Gong, and H. J. Xiang*, “PASP: Property analysis and simulation package for materials”, J. Chem. Phys. 154, 114103 (2021).

6.Guoliang Yu, Junyi Ji, Changsong Xu*, H. J. Xiang*, “Bilayer Stacking Ferrovalley without Breaking Time-Reversal Symmetry”, arXiv:2304.12002.

7.Junyi Ji, Guoliang Yu, Changsong Xu*, H. J. Xiang*, “Unconventional Ferroelectricity in Violation with Neumann's Principle”, arXiv:2304.11984.

报告人简介：

向红军，复旦大学物理系教授。1997-2006年就读于中国科学技术大学，并获学士和博士学位，2006-2009年在美国北卡州立大学和美国可再生能源国家实验室以博士后身份开展研究。向红军教授从事计算凝聚态物理研究，在多铁性物理模型建立和计算方法发展等方面取得了进展。代表成果有：提出了自旋序诱导铁电性的普适模型，突破了传统模型的局限，给出了一大类多铁的一般物理图像，已被领域专家认可。建立了计算磁相互作用及磁电耦合强度的四态法，该方法已被国内外研究组广泛采用。基于这些模型和方法，他解释了多铁材料中铁电性的来源，发现了新磁电耦合机制；设计了高性能多铁材料，部分预测已被实验证实；发展了材料性质分析和模拟软件包PASP，已被国内外多个研究组采用。相关研究成果以第一/通讯作者身份发表在Phys. Rev. Lett., Nature Mater., Nature Comm., Phys. Rev. X等杂志上。共发表论文200多篇，其中Phys. Rev. Lett. 30多篇。2014年起连续被爱思唯尔(Elsevier)评选为中国高被引学者。2018年获意大利国际理论物理中心ICTP奖，2021年入选美国物理学会APS fellow。

邀 请 人：吴泉生 特聘研究员

联 系 人：王慧颖 why@iphy.ac.cn