搜索

x
中国物理学会期刊

具有磁弹耦合的本征多铁半导体: 单分子层MoTeX (X = F, Cl, Br, I)

CSTR: 32037.14.aps.73.20240829

Intrinsic multiferroic semiconductors with magnetoelastic coupling: two-dimensional MoTeX (X = F, Cl, Br, I) monolayers

CSTR: 32037.14.aps.73.20240829
PDF
HTML
导出引用
  • 同时具有铁磁性与铁弹性的二维材料为磁性控制提供了全新机制, 即通过切换材料的铁弹态控制磁化方向. 源自半填充3d轨道的大磁矩和自发结构极化, 使单分子层MoTeX (X = F, Cl, Br, I)成为潜在的磁弹性多铁材料. 本文基于第一性原理计算, 系统地研究了单分子层MoTeX (X = F, Cl, Br, I)的铁磁性、铁弹性以及磁弹耦合性质. 计算结果表明单分子层MoTeX为本征半导体, 同时具有铁磁性和铁弹性. 单分子层MoTeX的面内磁晶各向异性能显著, 较高的磁晶各向异性能表明其具有抵抗热扰动的能力, 能在有限温度下维持长程磁有序. 另外, 单分子层MoTeX的易磁化轴均沿着平面内方向. 单分子层MoTeX在铁弹性转变过程中表现出相同幅度但符号相反的平面内磁各向异性能, 意味着面内易磁化轴随铁弹态的转换旋转了90°. 另外, 其铁弹转换势垒(0.180—0.226 eV/atom)适中, 表明单分子层MoTeX在室温下的可逆铁弹性转换和平面内易磁化轴的可逆转换. 本文提出了一种二维本征多铁半导体材料, 为多功能自旋电子器件提供了新候选材料.

     

    Two-dimensional materials with both ferromagnetism and ferroelasticity present new possibilities for developing spintronics and multifunctional devices. These materials provide a novel method for controlling the direction of the magnetization axis by switching the ferroelastic state, achieving efficient and low-power operation of magnetic devices. Such properties make them a promising candidate for the next generation of non-volatile memory, sensors, and logic devices. By performing the first-principles calculations, the ferromagnetism, ferroelasticity, and magnetoelastic coupling in MoTeX (X = F, Cl, Br, I) monolayers are systematically investigated. The results indicate that the MoTeX monolayers are intrinsic semiconductors holding both ferromagnetism and ferroelasticity. The pronounced in-plane magnetic anisotropy suggests that the MoTeX monolayers can resist thermal disturbances and maintain long-range magnetic order. The Curie temperatures of MoTeX monolayers are 144.75 K, 194.55 K, 111.45 K, and 92.02 K, respectively. Our calculations show that the four MoTeX monolayers possess two stable ferroelastic states, with their easy magnetization axes perpendicular to each other. The ferroelastic transition barriers between the two ferroelastic states of MoTeF, MoTeCl, MoTeBr, MoTeI monolayers are 0.180 eV/atom, 0.200 eV/atom, 0.209 eV/atom, and 0.226 eV/atom, respectively, with their corresponding reversible strains of 54.58%, 46.32%, 43.06%, and 38.12%. These values indicate the potential for reversible magnetic control through reversible ferroelastic transition at room temperature. Owing to their unique magnetoelastic coupling properties, MoTeX monolayers exhibit the ability to control reversible magnetization axis at room temperature, laying the foundation for the development of highly controllable and stable spintronic devices.

     

    目录

    /

    返回文章
    返回