Biaxial strain-mediated magnetic phase transition and anisotropy engineering in the MoSBr monolayer: a first-principles approach for room-temperature spintronics
Abstract
molecular dynamics simulations. Quantitative relationships are established between strain and magnetic properties. Specifically, strain-mediated crystal-field distortion selectively alters d-orbital occupancies and the hierarchy of spin-orbit coupling matrix elements, thereby modulating magnetic exchange interactions. These results suggest that MoSBr is a highly promising, strain-tunable 2D magnet, providing a design principle for engineering the functionality of 4d-based magnetic materials for spintronic applications.
Fields of Study & Subjects
2D Materials and Applications
Heusler alloys: electronic and magnetic properties
Multiferroics and related materials
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 20
- Pages
- 12379–12390
- Publication date
- 1 January 2026
- Language
- EN