Spin-dependent Schottky barriers and vacancy-induced spin-selective ohmic contacts in magnetic vdW heterostructures.,Physical Chemistry Chemical Physics

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Spin-dependent Schottky barriers and vacancy-induced spin-selective ohmic contacts in magnetic vdW heterostructures.
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2020-04-21 , DOI: 10.1039/d0cp01014f
Hongxing Li ₁ , Yuan-Kai Xu , Zi-Peng Cheng , Bin-Guang He , Wei-Bing Zhang

Affiliation

2D ferromagnets, such as CrX3 (X = Cl, Br and I), have been attracting extensive attention since they provide novel platforms to fundamental physics and device applications. Integrating CrX3 with other electrodes and substrates is an essential step to their device realization. Therefore, it is important to understand the interfacial properties between CrX3 and other 2D materials. As an illustrative example, we have investigated the heterostructures between CrX3 and graphene (CrX3/Gr) by first-principles calculations. We found a unique Schottky contact type with strongly spin-dependent barriers in CrX3/Gr. This can be understood by synergistic effects between the exchange splitting of the semiconductor band of CrX3 and interlayer charge transfer. The spin-asymmetry of Schottky barriers may result in different tunneling rates of spin-up and down electrons, and then lead to spin-polarized current, namely the spin-filter (SF) effect. Moreover, by introducing X vacancies into CrX3/Gr, an ohmic contact forms in the spin-up direction. It may enhance the transport of spin-up electrons, and improve the SF effect. Our systematic study reveals the unique interfacial properties of CrX3/Gr, and provides a theoretical view of the understanding and designing of spintronic devices based on magnetic vdW heterostructures.

中文翻译：

磁性vdW异质结构中自旋相关的肖特基势垒和空位诱导的自旋选择欧姆接触。

诸如CrX3（X = Cl，Br和I）之类的2D铁磁体已经吸引了广泛的关注，因为它们为基础物理和设备应用提供了新颖的平台。CrX3与其他电极和基板的集成是实现其器件的必不可少的步骤。因此，重要的是要了解CrX3与其他2D材料之间的界面特性。作为说明性示例，我们通过第一性原理计算研究了CrX3和石墨烯之间的异质结构（CrX3 / Gr）。我们在CrX3 / Gr中发现了一种具有强烈自旋依赖性势垒的独特肖特基接触类型。这可以通过CrX3的半导体带的交换分裂和层间电荷转移之间的协同效应来理解。肖特基势垒的自旋不对称性可能导致自旋向上和向下电子的隧穿速率不同，然后导致自旋极化电流，即自旋滤光片（SF）效应。此外，通过将X空位引入CrX3 / Gr，在向上旋转方向上形成欧姆接触。它可以增强自旋电子的传输，并改善SF效应。我们的系统研究揭示了CrX3 / Gr的独特界面特性，并为理解和设计基于磁性vdW异质结构的自旋电子器件提供了理论观点。

更新日期：2020-04-24

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