Issue 26, 2024

Magnetic phase transition regulated by an interface coupling effect in CrBr3/electride Ca2N van der Waals heterostructures

Abstract

Compared with ferromagnetic (FM) materials, antiferromagnetic (AFM) materials have the advantages of not generating stray fields, resisting magnetic field disturbances, and displaying ultrafast dynamics and are thus considered as ideal candidate materials for next-generation high-speed and high-density magnetic storage. In this study, a new AFM device was constructed based on density functional theory calculations through the formation of a CrBr3/Ca2N van der Waals heterostructure. The FM ground state in CrBr3 undergoes an AFM transition when combining with the electride Ca2N. In such a system, since the metal Ca atoms form the exposed layer in the electride, the heterostructure interface has a high binding energy and a large amount of charge transfer. However, for individual electron doping, the FM ground state in the CrBr3 monolayer is robust. Therefore, the main factor in magnetic phase transition is the interface orbital coupling caused by the strong binding energy. Furthermore, the interface coupling effect was revealed to be a competition between direct exchange and superexchange interactions. Additionally, different pathways of orbital hybridization cause a transition of the magnetic anisotropy from out-of-plane to in-plane. This work not only provides a feasible strategy for changing the ground state of magnetic materials on electride substrates but also brings about more possibilities for the construction and advancement of new AFM devices.

Graphical abstract: Magnetic phase transition regulated by an interface coupling effect in CrBr3/electride Ca2N van der Waals heterostructures

Supplementary files

Article information

Article type
Paper
Submitted
05 Apr 2024
Accepted
11 Jun 2024
First published
12 Jun 2024

Phys. Chem. Chem. Phys., 2024,26, 18382-18393

Magnetic phase transition regulated by an interface coupling effect in CrBr3/electride Ca2N van der Waals heterostructures

Z. Yin and B. Zhou, Phys. Chem. Chem. Phys., 2024, 26, 18382 DOI: 10.1039/D4CP01407C

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements