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High-Throughput Screening of Skyrmionic Janus Materials.

Peter Minch1, Romakanta Bhattarai1, Trevor David Rhone1

  • 1Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180, United States.

ACS Applied Materials & Interfaces
|August 27, 2025
PubMed
Summary

Researchers discovered novel Janus monolayers capable of hosting skyrmions, which are topologically protected spin textures. This finding opens new possibilities for spintronics applications using advanced magnetic materials.

Keywords:
Dzyaloshinskii-Moriya interactionhigh-throughput DFT calculationsmagnetic Janus materialsmagnetic skyrmionstopological spin texturestwo-dimensional magnets

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Spintronics

Background:

  • Skyrmions are topologically protected spin textures crucial for spintronics.
  • Existing van der Waals (vdW) materials for hosting skyrmions are limited.
  • Chiral interactions in noncentrosymmetric materials stabilize skyrmions.

Purpose of the Study:

  • To screen Janus monolayers for their potential to host skyrmions.
  • To identify novel materials with large chiral magnetic interactions.
  • To investigate the thermodynamic stability of spin textures in candidate materials.

Main Methods:

  • High-throughput first-principles calculations were employed for material screening.
  • Monte Carlo simulations were used to analyze the thermodynamic behavior of spin textures.
  • Exploration focused on Janus monolayers derived from MnSe2 and Cr2Cl2O2 crystal structures.

Main Results:

  • Several novel Janus monolayers predicted to host topological spin textures were identified.
  • Elongated skyrmion-like textures were predicted in Mn2IFO2.
  • The mechanism driving the elongation of skyrmion-like textures was elucidated.

Conclusions:

  • The study expands the range of known materials capable of hosting skyrmions.
  • Identified Janus materials offer new platforms for spintronic device development.
  • This research paves the way for discovering exotic spin textures in unexplored materials.