Modifying the Magnetic and Electronic Properties of Monolayer 2H-VS2 via Ferroelectric Substrate with Different Surface Terminations,Physica Status Solidi (B) - Basic Solid State Physics

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Modifying the Magnetic and Electronic Properties of Monolayer 2H-VS2 via Ferroelectric Substrate with Different Surface Terminations
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.5 ) Pub Date : 2022-07-15 , DOI: 10.1002/pssb.202200087
Jian-Qing Dai ₁ , Yu-Zhu Liu, ₁ , Jin Yuan ₁

Affiliation

A promising strategy to tailor the magnetic and electronic properties of 2D van der Waals magnets is to integrate them with a ferroelectric (FE) substrate. Herein, the FE substrate effect of BiFeO₃(0001) with different surface terminations is explored using density functional theory calculations for the ferromagnetic 2H-VS₂ monolayer. It is observed that depending on the polarization direction and surface termination of the BiFeO₃(0001) FE substrate, the 2H-VS₂/BiFeO₃(0001) interface exhibits a substantially varied charge transfer behavior. The magnetic and electronic properties of the monolayer 2H-VS₂ are significantly modulated by the interface charge transfer. Furthermore, in the 2H-VS₂/BiFeO₃(0001) heterostructures, large interface magnetoelectric coupling coefficients are predicted. The in-plane magnetic and electronic properties of monolayer 2H-VS₂ can be effectively tuned by the out-of-plane FE polarization, paving the way for a novel class of spintronic devices based on the 2H-VS₂/BiFeO₃(0001) hybrid system.

中文翻译：

通过具有不同表面终端的铁电衬底改变单层 2H-VS2 的磁学和电子学性质

定制 2D 范德瓦尔斯磁体的磁性和电子特性的一种有前途的策略是将它们与铁电 (FE) 基板集成。_{在此，使用铁磁2H-VS 2}单层的密度泛函理论计算探索了具有不同表面终止的BiFeO _{3 (0001)的FE衬底效应。}据观察，根据 BiFeO ₃ (0001) FE 基板的极化方向和表面终止，2H-VS ₂ /BiFeO ₃ (0001) 界面表现出显着不同的电荷转移行为。_{单分子层 2H-VS 2}的磁性和电子特性受到界面电荷转移的显着调制。此外，在2H-VS ₂ /BiFeO ₃ (0001)异质结构中，预测了大的界面磁电耦合系数。单层 2H-VS _{2的面内磁性和电子特性可以通过面外 FE 极化进行有效调整，为基于 2H-VS}₂ /BiFeO ₃ (0001 ) 的新型自旋电子器件铺平了道路) 混合系统。

更新日期：2022-07-15

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