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A multiferroic iron arsenide monolayer.

Xiaoyu Xuan1, Tingfan Yang1, Jian Zhou2

  • 1Key Laboratory for Intelligent Nano Materials and Devices of Ministry of Education, State Key Laboratory of Mechanics and Control of Mechanical Structures, Institute for Frontier Science, Nanjing University of Aeronautics and Astronautics Nanjing 210016 China chuwazhang@nuaa.edu.cn.

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|September 22, 2022
PubMed
Summary
This summary is machine-generated.

We discovered that iron arsenide (FeAs) monolayers are stable, multiferroic materials with unique ferroelastic and antiferromagnetic properties. Fluorination enhances these properties, potentially enabling strong coupling between ferroelasticity and ferromagnetism.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Solid-State Chemistry

Background:

  • Iron arsenide (FeAs) monolayers are crucial for developing iron-based superconductors.
  • Understanding the multiferroic properties of 2D materials is essential for advanced electronic applications.

Purpose of the Study:

  • To predict the stability and multiferroic behavior of FeAs monolayers using first-principles calculations.
  • To investigate the effects of fluorination on the ferroelastic and magnetic properties of FeAs monolayers.

Main Methods:

  • First-principles calculations were employed to model the electronic and structural properties of FeAs monolayers.
  • Analysis of elastic strain, activation barriers, and magnetic ordering was performed.

Main Results:

  • The FeAs monolayer exhibits high stability and coexisting ferroelasticity (18% strain, 20 meV/atom barrier) and antiferromagnetism.
  • Out-of-plane oriented Fe atom moments show weak coupling to structural polarization.
  • Fluorination aligns Fe moments in-plane, reorienting the easy axis.

Conclusions:

  • FeAs monolayers are stable, multiferroic materials with significant ferroelasticity.
  • Fluorinated FeAs monolayers demonstrate potential for strong ferroelasticity-ferromagnetism coupling, making them promising multiferroic candidates.