Work

Computational studies on magnetism and ferroelectricity

Year: 2022

Type: article

Abstract: Magnetics, ferroelectrics, and multiferroics have attracted great attentions because they are not only extremely important for investigating fundamental physics, but also have important applications in information technology. Here, recent computational studies on magnetism and ferroelectricity are reviewed. We first give a brief introduction to magnets, ferroelectrics, and multiferroics. Then, theoretical models and corresponding computational methods for investigating these materials are presented. In particular, a new method for computing the linear magnetoelectric coupling tensor without applying an external field in the first principle calculations is proposed for the first time. The functionalities of our home-made Property Analysis and Simulation Package for materials (PASP) and its applications in the field of magnetism and ferroelectricity are discussed. Finally, we summarize this review and give a perspective on possible directions of future computational studies on magnetism and ferroelectricity.

Source: Chinese Physics B

DOI: 10.1088/1674-1056/ac7b1b

Authors: Ke Xu, Junsheng Feng, Hongjun Xiang

Institutions: Hubei University of Arts and Science, Hefei Normal University, Fudan University, State Key Laboratory of Surface Physics

Language: English

Topic: Multiferroics and related materials

Subfield: Electronic, Optical and Magnetic Materials

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: National Natural Science Foundation of China, Fudan University, Natural Science Foundation of Anhui Province

Awards: G3224130761, G5283864404, G6703879505, G8425566183