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Intrinsic multiferroic MnOF monolayer with room-temperature ferromagnetism
Materials Today Physics ( IF 11.5 ) Pub Date : 2022-07-08 , DOI: 10.1016/j.mtphys.2022.100775
Shaowen Xu , Fanhao Jia , Xing Yu , Shunbo Hu , Heng Gao , Wei Ren

Two-dimensional (2D) multiferroic materials have generated substantial interest owing to the interplay between various ferroic states and the potential applications in miniaturized electronic devices. Using first-principles calculations, we report a ferromagnetic, ferroelectric, and ferroelastic MnOF monolayer, which is an indirect semiconductor with a band gap of 1.8 eV. The Cuire temperature is predicted to be 420 K based on the Monte Carlo simulation of Heisenberg model. The magnetic easy-axis prefers to align along c-axis. Moreover, it shows excellent ferroelectricity with a switchable spontaneous polarization of 7.5 μC/cm2. Meanwhile, MnOF monolayer also habors ferroealsticity with a large reversible strain of 21.4% and a moderate switching energy barrier, which can effectively switchferroelectric polarization direction. MnOF monolayer thus offers a perfect platform for studying the 2D multiferroic coupling effects.



中文翻译:

具有室温铁磁性的本征多铁性 MnOF 单层

由于各种铁质状态之间的相互作用以及在小型化电子设备中的潜在应用,二维(2D)多铁性材料引起了人们的极大兴趣。使用第一性原理计算,我们报告了一种铁磁、铁电和铁弹性 MnOF 单层,它是一种带隙为 1.8 eV 的间接半导体。基于海森堡模型的蒙特卡罗模拟,Cuire 温度预计为 420 K。磁性易轴更倾向于沿c轴对齐。此外,它显示出优异的铁电性,可切换的自发极化为 7.5 μC/cm 2. 同时,MnOF单层还具有铁磁性,具有21.4%的大可逆应变和适度的转换能垒,可以有效地转换铁电极化方向。因此,MnOF 单层为研究二维多铁耦合效应提供了一个完美的平台。

更新日期:2022-07-08
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