Theoretical and Computational Methods for Magnetic van der Waals Materials and Their Applications
Abstract
In this article, we provide an overview of theoretical and computational methods for studying magnetic van der Waals materials with special emphasis on first-principles computations and their application. First, we discuss the issues, such as how to properly consider electronic interactions via weak interlayer couplings, the exchange-correlation functional used for density-functional theory calculations, Hund physics, and dynamical mean-field theory methods. We then switch gears to the optical properties of magnetic van der Waals materials with specific emphasis on intriguing excitons and the interplay between spin and orbital degrees of freedom. Finally, we discuss chiral phonons and magnon-phonon interactions.
Fields of Study & Subjects
2D Materials and Applications
Magnetic properties of thin films
Advanced Condensed Matter Physics
Publication details
- Journal / source
- Physics and High Technology
- Volume
- 35
- Issue
- 1/2
- Pages
- 18–24
- Publication date
- 27 February 2026
- Language
- EN