Abstract
We present a first-principles investigation of the magnetic and ferroelectric properties of . Our calculations indicate that the magnetic topology is one-dimensional, with a Néel temperature smaller than 1 K, if existing. We also show that applying high-pressure values up to 40 GPa on does not induce three-dimensional magnetic order. In addition, our calculations predict that the polar phase is destabilized under pressure. The first consequence is to reduce the energy barrier between polar and nonpolar phases, enhancing the ability to reverse the polarization. The second consequence is the disappearance of ferroelectricity above a critical pressure of 12.6 GPa.
3 More- Received 2 June 2022
- Revised 20 July 2022
- Accepted 1 August 2022
DOI:https://doi.org/10.1103/PhysRevB.106.064421
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