A two-dimensional multiferroic metal with voltage-tunable magnetization and metallicity,Materials Horizons

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A two-dimensional multiferroic metal with voltage-tunable magnetization and metallicity
Materials Horizons ( IF 12.2 ) Pub Date : 2021-06-25 , DOI: 10.1039/d1mh00939g
Xu Duan ₁ , Jiawei Huang , Bin Xu , Shi Liu

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We design a multiferroic metal that combines seemingly incompatible ferromagnetism, ferroelectricity, and metallicity by hole doping a two-dimensional (2D) ferroelectric with high density of states near the Fermi level. The strong magnetoelectric effect is demonstrated in hole-doped and arsenic-doped monolayer α-In₂Se₃ using first-principles calculations. Taking advantage of the oppositely charged surfaces created by an out-of-plane polarization, the 2D magnetization and metallicity can be electrically switched on and off in an asymmetrically doped monolayer. The substitutional arsenic defect pair exhibits an intriguing electric field-tunable charge disproportionation process accompanied by an on–off switch of local magnetic moments. The charge ordering process can be controlled by tuning the relative strength of on-site Coulomb repulsion and defect dipole-polarization coupling via strain engineering. Our design principle relying on no transition metal broadens the materials design space for 2D multiferroic metals.

中文翻译：

一种具有电压可调磁化强度和金属丰度的二维多铁性金属

我们设计了一种多铁性金属，通过空穴掺杂具有接近费米能级的高态密度的二维 (2D) 铁电体，将看似不相容的铁磁性、铁电性和金属性结合起来。在空穴掺杂和砷掺杂的单层α-In ₂ Se _{3 中}证明了强磁电效应使用第一性原理计算。利用由面外极化产生的带相反电荷的表面，二维磁化和金属丰度可以在不对称掺杂的单层中打开和关闭。置换砷缺陷对表现出有趣的电场可调电荷歧化过程，伴随着局部磁矩的开关。电荷排序过程可以通过应变工程调整现场库仑排斥和缺陷偶极极化耦合的相对强度来控制。我们不依赖过渡金属的设计原则拓宽了二维多铁性金属的材料设计空间。

更新日期：2021-07-06

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