Computational design of two‐dimensional magnetic materials

• Published in: Wiley interdisciplinary reviews. Computational molecular science Vol. 12; no. 2; pp. e1545 - n/a
• Main Authors: Miao, Naihua, Sun, Zhimei
• Format: Journal Article
• Language: English
• Published: Hoboken, USA Wiley Periodicals, Inc 01-03-2022; Wiley Subscription Services, Inc
• Subjects: 2D materials; computational materials science; Computer applications; Density functional theory; Devices; Heterojunctions; machine learning; Magnetic materials; magnetic semiconductor; Magnetism; Magnets; Physics; spintronics; Storage; Theories; Transistors; Two dimensional models
• ISSN: 1759-0876; 1759-0884
• DOI: 10.1002/wcms.1545

As a long‐standing research topic in materials physics and chemistry, magnetic materials have been receiving increasing attention for their applications in spintronic devices, such as spin field‐effect transistor and data‐storage memory. Two‐dimensional (2D) magnets are a family of emerging magnetic materials with atomically thin thickness, which can be easily integrated into heterostructural devices, providing incredible possibility for understanding 2D magnetism and great potential for applications in future ultrathin spintronic devices. Recent effort from theory, simulations and experiments has made notable progress on 2D magnets and devices, especially on 2D van der Waals materials and heterojunctions. Here theoretical advances using physical models and computational approaches on the study of new 2D magnets and devices are briefly summarized and possible directions for future investigation are extensively discussed, which may inspire growing interest on the development and applications of 2D magnets and spintronic devices.
This article is categorized under:
Structure and Mechanism > Computational Materials Science
Electronic Structure Theory > Density Functional Theory
Computational discovery of atomically thin magnetic materials offers incredible opportunity for understanding two‐dimensional magnetism and great potential for applications in future ultrathin spintronic devices.