当前位置: X-MOL 学术Physica E Low Dimens. Syst. Nanostruct. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Tunable magnetic behavior, conductivity and valley polarization in two-dimensional YMnO3/2H-VS2 multiferroic heterostructures
Physica E: Low-dimensional Systems and Nanostructures ( IF 3.3 ) Pub Date : 2022-08-11 , DOI: 10.1016/j.physe.2022.115459
Yankai Chen , Yukai An

Manipulation of spin-valleys plays a key role in spintronics and valleytronics. The magnetoelectric coupling effect in the two-dimensional (2D) ferroelectricity/ferromagnetism heterostructures offers a feasible way to achieve the modulation of magnetic properties and valley degrees of freedom. In this work, the electronic structure, magnetism and valley polarization of YMnO3/2H-VS2 multiferroic heterostructures are investigated in detail by first-principles calculations. The results show that the ferromagnetism, valley polarization and conductivity of 2H-VS2 layer can be largely altered by the YMnO3 substrate with different terminations. The valley polarization can achieve a maximum modulation of 112.5 meV for the YMnO3/2H-VS2 heterostructure with MnO-termination when the ferroelectric polarization is reversed. On the other hand, the direction of magnetic moment of V atom in the 2H-VS2 layer can be effectively adjusted in the O2- and Y-terminated configurations by altering the ferroelectric polarization, which can be attributed to the magnetic interaction between the ferromagnetic 2H-VS2 and ferroelectric YMnO3. Compared with the case of isolated 2H-VS2 monolayer, 2H-VS2 exhibits p-type doping character in O- and Y-terminated configurations. The valley and direct bandgap semiconductor properties of 2H-VS2 monolayer are preserved for all configurations. Moreover, the O–S distance can be considered as a main factor for regulating the valley polarization by affecting orbital hybridization. These results exhibit new coupling effects between ferromagnetism, ferroelectronics and ferrovalley by the electrical control of spin-valleys behaviors, which provides a new platform for developing nonvolatile spintronic and valleytronic devices.



中文翻译:

二维 YMnO3/2H-VS2 多铁异质结构中的可调谐磁行为、电导率和谷极化

自旋谷的操纵在自旋电子学和谷电子学中起着关键作用。二维(2D)铁电/铁磁异质结构中的磁电耦合效应为实现磁特性和谷自由度的调制提供了一种可行的方法。在这项工作中,通过第一性原理计算详细研究了YMnO 3 /2H-VS 2多铁异质结构的电子结构、磁性和谷极化。结果表明, YMnO 3可以大大改变2H-VS 2层的铁磁性、谷极化和电导率。基板与不同的终端。当铁电极化反转时,谷极化可以实现112.5 meV的最大调制对于具有MnO终止的YMnO 3 /2H-VS 2异质结构。另一方面,2H-VS 2层中V原子的磁矩方向可以通过改变铁电极化在O2-和Y-终端配置中有效地调整,这可以归因于铁磁体之间的磁相互作用。 2H-VS 2和铁电体YMnO 3。与隔离2H-VS 2单层的情况相比,2H-VS 2在 O 端和 Y 端配置中表现出 p 型掺杂特性。2H-VS 2单层的谷和直接带隙半导体特性对于所有配置都保持不变。此外,O-S 距离可以被认为是通过影响轨道杂化来调节谷极化的主要因素。这些结果通过对自旋谷行为的电控制,展示了铁磁性、铁电子学和铁谷之间的新耦合效应,为开发非易失性自旋电子和谷电子器件提供了新的平台。

更新日期:2022-08-11
down
wechat
bug