Controlling Magnetism in the 2D van der Waals Antiferromagnet CrPS$_4$ via Ion Intercalation
Fuente:
arXiv
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866914091480645632 |
|---|---|
| author | Ruiz, Alberto M. López-Alcalá, Diego Rivero-Carracedo, Gonzalo Shumilin, Andrei Baldoví, José J. |
| author_facet | Ruiz, Alberto M. López-Alcalá, Diego Rivero-Carracedo, Gonzalo Shumilin, Andrei Baldoví, José J. |
| contents | Two-dimensional van der Waals (vdW) magnetic materials are versatile platforms for tailoring electronic and magnetic properties, in which the insertion of chemical species into their interlayer gaps offers a powerful route to engineer magnetism. Here, we focus on the A-type antiferromagnetic semiconductor CrPS$_4$ (T$_N$ = 38 K) and investigate its electronic and magnetic properties upon intercalation of lithium (Li$^+$) and organic tetrabutylammonium (TBA$^+$) ions using first-principles calculations. Our results show that Li$^+$ incorporation induces a semiconductor-to-metal transition in CrPS$_4$ and selectively modifies its magnetic behaviour: switching from out-of-plane to in-plane antiferromagnetism, followed by an in-plane ferromagnetic ground state at higher intercalation levels. This is accompanied by a continuous increase of the ordering temperature, reaching a fivefold enhancement for Li$_{0.5}$CrPS$_4$. Similarly, TBA$^+$ intercalation expands the vdW gap, decoupling CrPS$_4$ layers and stabilising in-plane ferromagnetism with a T$_C$ above 100 K. Furthermore, it also modifies magnon propagation, leading to enhanced group velocities and a more isotropic magnon transport. This work highlights intercalation as a powerful and versatile approach for controlling magnetic behaviour and spin dynamics, paving the way for the design of tunable 2D layered magnetic materials for spintronic and magnonic applications. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2510_12371 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Controlling Magnetism in the 2D van der Waals Antiferromagnet CrPS$_4$ via Ion Intercalation Ruiz, Alberto M. López-Alcalá, Diego Rivero-Carracedo, Gonzalo Shumilin, Andrei Baldoví, José J. Materials Science Mesoscale and Nanoscale Physics Two-dimensional van der Waals (vdW) magnetic materials are versatile platforms for tailoring electronic and magnetic properties, in which the insertion of chemical species into their interlayer gaps offers a powerful route to engineer magnetism. Here, we focus on the A-type antiferromagnetic semiconductor CrPS$_4$ (T$_N$ = 38 K) and investigate its electronic and magnetic properties upon intercalation of lithium (Li$^+$) and organic tetrabutylammonium (TBA$^+$) ions using first-principles calculations. Our results show that Li$^+$ incorporation induces a semiconductor-to-metal transition in CrPS$_4$ and selectively modifies its magnetic behaviour: switching from out-of-plane to in-plane antiferromagnetism, followed by an in-plane ferromagnetic ground state at higher intercalation levels. This is accompanied by a continuous increase of the ordering temperature, reaching a fivefold enhancement for Li$_{0.5}$CrPS$_4$. Similarly, TBA$^+$ intercalation expands the vdW gap, decoupling CrPS$_4$ layers and stabilising in-plane ferromagnetism with a T$_C$ above 100 K. Furthermore, it also modifies magnon propagation, leading to enhanced group velocities and a more isotropic magnon transport. This work highlights intercalation as a powerful and versatile approach for controlling magnetic behaviour and spin dynamics, paving the way for the design of tunable 2D layered magnetic materials for spintronic and magnonic applications. |
| title | Controlling Magnetism in the 2D van der Waals Antiferromagnet CrPS$_4$ via Ion Intercalation |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2510.12371 |